USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 757 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 47 CYS SG : rot -146:sc= 0.448 USER MOD Set 1.2: A 49 HIS : no HE2:sc= -5.35! C(o=-6.6!,f=-15!) USER MOD Set 1.3: A 50 CYS SG : rot 138:sc= -1.75! USER MOD Set 2.1: A 28 ASN : amide:sc= -2.84 K(o=-5.3,f=-3.8!) USER MOD Set 2.2: A 33 GLN : amide:sc= -2.45 K(o=-5.3,f=-3.4) USER MOD Set 3.1: A 23 THR OG1 : rot -101:sc= 1.23 USER MOD Set 3.2: A 26 ASN : amide:sc= -0.532 K(o=0.7,f=-4!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -148:sc= 1.71 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -3.34! C(o=-3.3!,f=-3.3!) USER MOD Single : A 54 THR OG1 : rot 88:sc= 0.901 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -102:sc= 0.533 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= -0.0396 (180deg=-0.0396) USER MOD Single : A 74 ASN : amide:sc= -7.18! C(o=-7.2!,f=-16!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HD1:sc= -8.36! C(o=-8.4!,f=-6.1!) USER MOD Single : A 79 GLN : amide:sc= -0.283 X(o=-0.28,f=-0.098) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.0994 X(o=-0.099,f=0) USER MOD Single : A 85 TYR OH : rot 85:sc= 1.46 USER MOD Single : A 88 GLN : amide:sc= -2.23 K(o=-2.2,f=-4.2!) USER MOD Single : A 92 THR OG1 : rot 17:sc= -0.28 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -4.34! K(o=-4.3!,f=-2) USER MOD Single : A 100 LYS NZ :NH3+ -146:sc= 0.887 (180deg=0.606) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 110:sc= -0.0881 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 195 N ASP A 18 7.668 2.446 -11.866 1.00 0.00 N ATOM 196 CA ASP A 18 7.435 1.029 -11.614 1.00 0.00 C ATOM 197 C ASP A 18 6.217 0.829 -10.717 1.00 0.00 C ATOM 198 O ASP A 18 5.614 -0.244 -10.702 1.00 0.00 O ATOM 199 CB ASP A 18 8.668 0.394 -10.969 1.00 0.00 C ATOM 200 CG ASP A 18 9.932 0.643 -11.768 1.00 0.00 C ATOM 201 OD1 ASP A 18 10.452 1.777 -11.717 1.00 0.00 O ATOM 202 OD2 ASP A 18 10.402 -0.296 -12.444 1.00 0.00 O ATOM 0 HA ASP A 18 7.243 0.542 -12.570 1.00 0.00 H new ATOM 0 HB2 ASP A 18 8.794 0.792 -9.962 1.00 0.00 H new ATOM 0 HB3 ASP A 18 8.510 -0.680 -10.870 1.00 0.00 H new ATOM 207 N VAL A 19 5.861 1.870 -9.971 1.00 0.00 N ATOM 208 CA VAL A 19 4.715 1.809 -9.071 1.00 0.00 C ATOM 209 C VAL A 19 3.406 1.771 -9.851 1.00 0.00 C ATOM 210 O VAL A 19 3.217 2.527 -10.804 1.00 0.00 O ATOM 211 CB VAL A 19 4.692 3.012 -8.109 1.00 0.00 C ATOM 212 CG1 VAL A 19 3.479 2.941 -7.194 1.00 0.00 C ATOM 213 CG2 VAL A 19 5.979 3.071 -7.300 1.00 0.00 C ATOM 0 H VAL A 19 6.349 2.765 -9.972 1.00 0.00 H new ATOM 0 HA VAL A 19 4.816 0.892 -8.491 1.00 0.00 H new ATOM 0 HB VAL A 19 4.618 3.926 -8.699 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.480 3.799 -6.522 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.569 2.951 -7.794 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.518 2.022 -6.609 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.946 3.927 -6.626 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.086 2.155 -6.719 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.829 3.174 -7.975 1.00 0.00 H new ATOM 223 N ILE A 20 2.504 0.886 -9.440 1.00 0.00 N ATOM 224 CA ILE A 20 1.211 0.750 -10.099 1.00 0.00 C ATOM 225 C ILE A 20 0.155 1.617 -9.422 1.00 0.00 C ATOM 226 O ILE A 20 -0.125 1.456 -8.234 1.00 0.00 O ATOM 227 CB ILE A 20 0.732 -0.714 -10.103 1.00 0.00 C ATOM 228 CG1 ILE A 20 1.661 -1.574 -10.962 1.00 0.00 C ATOM 229 CG2 ILE A 20 -0.699 -0.801 -10.610 1.00 0.00 C ATOM 230 CD1 ILE A 20 1.520 -3.058 -10.704 1.00 0.00 C ATOM 0 H ILE A 20 2.645 0.252 -8.653 1.00 0.00 H new ATOM 0 HA ILE A 20 1.345 1.082 -11.128 1.00 0.00 H new ATOM 0 HB ILE A 20 0.758 -1.093 -9.081 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.457 -1.375 -12.014 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.693 -1.277 -10.776 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.023 -1.842 -10.607 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.351 -0.216 -9.961 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.750 -0.408 -11.625 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.208 -3.606 -11.347 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.753 -3.270 -9.660 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.497 -3.369 -10.918 1.00 0.00 H new ATOM 242 N GLU A 21 -0.428 2.535 -10.186 1.00 0.00 N ATOM 243 CA GLU A 21 -1.454 3.427 -9.659 1.00 0.00 C ATOM 244 C GLU A 21 -2.716 2.649 -9.295 1.00 0.00 C ATOM 245 O GLU A 21 -3.580 2.414 -10.140 1.00 0.00 O ATOM 246 CB GLU A 21 -1.790 4.515 -10.681 1.00 0.00 C ATOM 247 CG GLU A 21 -2.615 5.655 -10.107 1.00 0.00 C ATOM 248 CD GLU A 21 -2.878 6.752 -11.121 1.00 0.00 C ATOM 249 OE1 GLU A 21 -1.923 7.478 -11.469 1.00 0.00 O ATOM 250 OE2 GLU A 21 -4.037 6.884 -11.565 1.00 0.00 O ATOM 0 H GLU A 21 -0.208 2.681 -11.171 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.063 3.895 -8.756 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.863 4.918 -11.088 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.334 4.066 -11.512 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.566 5.264 -9.745 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.096 6.077 -9.247 1.00 0.00 H new ATOM 257 N LEU A 22 -2.814 2.252 -8.031 1.00 0.00 N ATOM 258 CA LEU A 22 -3.970 1.499 -7.553 1.00 0.00 C ATOM 259 C LEU A 22 -5.164 2.421 -7.327 1.00 0.00 C ATOM 260 O LEU A 22 -5.015 3.538 -6.829 1.00 0.00 O ATOM 261 CB LEU A 22 -3.624 0.765 -6.256 1.00 0.00 C ATOM 262 CG LEU A 22 -2.739 -0.473 -6.401 1.00 0.00 C ATOM 263 CD1 LEU A 22 -2.437 -1.076 -5.038 1.00 0.00 C ATOM 264 CD2 LEU A 22 -3.402 -1.500 -7.306 1.00 0.00 C ATOM 0 H LEU A 22 -2.108 2.438 -7.319 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.238 0.768 -8.316 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.126 1.467 -5.587 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.554 0.467 -5.771 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.797 -0.171 -6.858 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.806 -1.956 -5.161 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.919 -0.341 -4.422 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.370 -1.363 -4.553 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.758 -2.374 -7.397 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.359 -1.798 -6.878 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.565 -1.065 -8.292 1.00 0.00 H new ATOM 276 N THR A 23 -6.350 1.945 -7.693 1.00 0.00 N ATOM 277 CA THR A 23 -7.570 2.726 -7.529 1.00 0.00 C ATOM 278 C THR A 23 -8.712 1.858 -7.011 1.00 0.00 C ATOM 279 O THR A 23 -8.685 0.631 -7.110 1.00 0.00 O ATOM 280 CB THR A 23 -7.999 3.382 -8.854 1.00 0.00 C ATOM 281 OG1 THR A 23 -8.923 2.533 -9.545 1.00 0.00 O ATOM 282 CG2 THR A 23 -6.793 3.654 -9.740 1.00 0.00 C ATOM 0 H THR A 23 -6.492 1.023 -8.105 1.00 0.00 H new ATOM 0 HA THR A 23 -7.351 3.507 -6.800 1.00 0.00 H new ATOM 0 HB THR A 23 -8.481 4.332 -8.623 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.456 2.056 -10.263 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.122 4.118 -10.670 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.106 4.324 -9.224 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.286 2.715 -9.962 1.00 0.00 H new ATOM 290 N PRO A 24 -9.740 2.508 -6.446 1.00 0.00 N ATOM 291 CA PRO A 24 -10.912 1.815 -5.903 1.00 0.00 C ATOM 292 C PRO A 24 -11.777 1.194 -6.995 1.00 0.00 C ATOM 293 O PRO A 24 -12.943 0.873 -6.769 1.00 0.00 O ATOM 294 CB PRO A 24 -11.679 2.926 -5.181 1.00 0.00 C ATOM 295 CG PRO A 24 -11.266 4.180 -5.871 1.00 0.00 C ATOM 296 CD PRO A 24 -9.839 3.969 -6.295 1.00 0.00 C ATOM 0 HA PRO A 24 -10.630 0.984 -5.257 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -12.756 2.773 -5.249 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.428 2.956 -4.121 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -11.904 4.380 -6.732 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -11.352 5.038 -5.205 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -9.617 4.485 -7.229 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.139 4.344 -5.549 1.00 0.00 H new ATOM 304 N SER A 25 -11.196 1.027 -8.179 1.00 0.00 N ATOM 305 CA SER A 25 -11.915 0.448 -9.308 1.00 0.00 C ATOM 306 C SER A 25 -11.203 -0.799 -9.823 1.00 0.00 C ATOM 307 O SER A 25 -11.816 -1.665 -10.446 1.00 0.00 O ATOM 308 CB SER A 25 -12.052 1.474 -10.434 1.00 0.00 C ATOM 309 OG SER A 25 -13.245 2.226 -10.297 1.00 0.00 O ATOM 0 H SER A 25 -10.230 1.284 -8.381 1.00 0.00 H new ATOM 0 HA SER A 25 -12.909 0.162 -8.966 1.00 0.00 H new ATOM 0 HB2 SER A 25 -11.193 2.145 -10.425 1.00 0.00 H new ATOM 0 HB3 SER A 25 -12.049 0.964 -11.397 1.00 0.00 H new ATOM 0 HG SER A 25 -13.308 2.876 -11.028 1.00 0.00 H new ATOM 315 N ASN A 26 -9.903 -0.882 -9.559 1.00 0.00 N ATOM 316 CA ASN A 26 -9.105 -2.021 -9.997 1.00 0.00 C ATOM 317 C ASN A 26 -8.396 -2.675 -8.814 1.00 0.00 C ATOM 318 O ASN A 26 -7.946 -3.818 -8.901 1.00 0.00 O ATOM 319 CB ASN A 26 -8.078 -1.581 -11.042 1.00 0.00 C ATOM 320 CG ASN A 26 -7.596 -0.161 -10.815 1.00 0.00 C ATOM 321 OD1 ASN A 26 -8.269 0.802 -11.184 1.00 0.00 O ATOM 322 ND2 ASN A 26 -6.424 -0.024 -10.206 1.00 0.00 N ATOM 0 H ASN A 26 -9.380 -0.174 -9.044 1.00 0.00 H new ATOM 0 HA ASN A 26 -9.777 -2.753 -10.445 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -7.225 -2.260 -11.018 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -8.519 -1.658 -12.036 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -6.048 0.907 -10.027 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -5.900 -0.850 -9.917 1.00 0.00 H new ATOM 329 N PHE A 27 -8.301 -1.942 -7.710 1.00 0.00 N ATOM 330 CA PHE A 27 -7.646 -2.450 -6.510 1.00 0.00 C ATOM 331 C PHE A 27 -7.911 -3.942 -6.336 1.00 0.00 C ATOM 332 O PHE A 27 -7.084 -4.670 -5.788 1.00 0.00 O ATOM 333 CB PHE A 27 -8.133 -1.687 -5.276 1.00 0.00 C ATOM 334 CG PHE A 27 -7.347 -1.992 -4.034 1.00 0.00 C ATOM 335 CD1 PHE A 27 -7.410 -3.246 -3.449 1.00 0.00 C ATOM 336 CD2 PHE A 27 -6.545 -1.024 -3.450 1.00 0.00 C ATOM 337 CE1 PHE A 27 -6.687 -3.530 -2.305 1.00 0.00 C ATOM 338 CE2 PHE A 27 -5.820 -1.302 -2.307 1.00 0.00 C ATOM 339 CZ PHE A 27 -5.892 -2.557 -1.733 1.00 0.00 C ATOM 0 H PHE A 27 -8.669 -0.995 -7.621 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.572 -2.300 -6.621 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -8.080 -0.617 -5.476 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -9.182 -1.927 -5.101 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.031 -4.011 -3.892 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.486 -0.041 -3.893 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.744 -4.512 -1.859 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.198 -0.539 -1.863 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.327 -2.776 -0.839 1.00 0.00 H new ATOM 349 N ASN A 28 -9.071 -4.390 -6.806 1.00 0.00 N ATOM 350 CA ASN A 28 -9.446 -5.796 -6.702 1.00 0.00 C ATOM 351 C ASN A 28 -8.888 -6.596 -7.875 1.00 0.00 C ATOM 352 O ASN A 28 -8.374 -7.700 -7.697 1.00 0.00 O ATOM 353 CB ASN A 28 -10.969 -5.936 -6.652 1.00 0.00 C ATOM 354 CG ASN A 28 -11.410 -7.362 -6.386 1.00 0.00 C ATOM 355 OD1 ASN A 28 -11.790 -7.707 -5.267 1.00 0.00 O ATOM 356 ND2 ASN A 28 -11.360 -8.199 -7.415 1.00 0.00 N ATOM 0 H ASN A 28 -9.767 -3.800 -7.262 1.00 0.00 H new ATOM 0 HA ASN A 28 -9.021 -6.193 -5.780 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.366 -5.285 -5.873 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -11.393 -5.598 -7.597 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -11.643 -9.172 -7.296 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -11.038 -7.870 -8.325 1.00 0.00 H new ATOM 363 N ARG A 29 -8.994 -6.031 -9.073 1.00 0.00 N ATOM 364 CA ARG A 29 -8.501 -6.692 -10.276 1.00 0.00 C ATOM 365 C ARG A 29 -6.986 -6.554 -10.389 1.00 0.00 C ATOM 366 O ARG A 29 -6.366 -7.135 -11.279 1.00 0.00 O ATOM 367 CB ARG A 29 -9.171 -6.103 -11.518 1.00 0.00 C ATOM 368 CG ARG A 29 -10.533 -6.707 -11.820 1.00 0.00 C ATOM 369 CD ARG A 29 -11.633 -6.031 -11.017 1.00 0.00 C ATOM 370 NE ARG A 29 -12.964 -6.442 -11.457 1.00 0.00 N ATOM 371 CZ ARG A 29 -13.534 -7.588 -11.102 1.00 0.00 C ATOM 372 NH1 ARG A 29 -12.894 -8.432 -10.305 1.00 0.00 N ATOM 373 NH2 ARG A 29 -14.748 -7.891 -11.544 1.00 0.00 N ATOM 0 H ARG A 29 -9.417 -5.117 -9.237 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.748 -7.751 -10.206 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -9.282 -5.027 -11.385 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -8.518 -6.252 -12.378 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -10.747 -6.611 -12.885 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -10.518 -7.773 -11.593 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -11.510 -6.271 -9.961 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -11.538 -4.949 -11.111 1.00 0.00 H new ATOM 0 HE ARG A 29 -13.484 -5.815 -12.070 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -11.961 -8.202 -9.963 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -13.334 -9.311 -10.034 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -15.244 -7.244 -12.157 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -15.185 -8.771 -11.271 1.00 0.00 H new ATOM 387 N GLU A 30 -6.397 -5.782 -9.481 1.00 0.00 N ATOM 388 CA GLU A 30 -4.955 -5.568 -9.481 1.00 0.00 C ATOM 389 C GLU A 30 -4.294 -6.317 -8.327 1.00 0.00 C ATOM 390 O GLU A 30 -3.321 -7.046 -8.521 1.00 0.00 O ATOM 391 CB GLU A 30 -4.638 -4.075 -9.381 1.00 0.00 C ATOM 392 CG GLU A 30 -4.550 -3.380 -10.730 1.00 0.00 C ATOM 393 CD GLU A 30 -3.178 -3.505 -11.362 1.00 0.00 C ATOM 394 OE1 GLU A 30 -2.590 -4.604 -11.290 1.00 0.00 O ATOM 395 OE2 GLU A 30 -2.691 -2.504 -11.928 1.00 0.00 O ATOM 0 H GLU A 30 -6.896 -5.295 -8.737 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.557 -5.955 -10.419 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.406 -3.588 -8.780 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.693 -3.947 -8.853 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.296 -3.804 -11.402 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.795 -2.325 -10.608 1.00 0.00 H new ATOM 402 N VAL A 31 -4.829 -6.131 -7.124 1.00 0.00 N ATOM 403 CA VAL A 31 -4.293 -6.789 -5.939 1.00 0.00 C ATOM 404 C VAL A 31 -5.093 -8.040 -5.595 1.00 0.00 C ATOM 405 O VAL A 31 -4.574 -9.156 -5.651 1.00 0.00 O ATOM 406 CB VAL A 31 -4.293 -5.843 -4.724 1.00 0.00 C ATOM 407 CG1 VAL A 31 -3.781 -6.563 -3.486 1.00 0.00 C ATOM 408 CG2 VAL A 31 -3.459 -4.604 -5.013 1.00 0.00 C ATOM 0 H VAL A 31 -5.633 -5.530 -6.945 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.266 -7.071 -6.171 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.318 -5.526 -4.533 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.788 -5.878 -2.638 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.424 -7.416 -3.269 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.763 -6.911 -3.662 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.470 -3.947 -4.143 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.433 -4.899 -5.232 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.876 -4.077 -5.871 1.00 0.00 H new ATOM 418 N ILE A 32 -6.359 -7.847 -5.240 1.00 0.00 N ATOM 419 CA ILE A 32 -7.231 -8.961 -4.889 1.00 0.00 C ATOM 420 C ILE A 32 -7.173 -10.059 -5.945 1.00 0.00 C ATOM 421 O ILE A 32 -7.279 -11.244 -5.628 1.00 0.00 O ATOM 422 CB ILE A 32 -8.692 -8.501 -4.723 1.00 0.00 C ATOM 423 CG1 ILE A 32 -8.776 -7.353 -3.714 1.00 0.00 C ATOM 424 CG2 ILE A 32 -9.567 -9.665 -4.283 1.00 0.00 C ATOM 425 CD1 ILE A 32 -8.341 -7.742 -2.319 1.00 0.00 C ATOM 0 H ILE A 32 -6.803 -6.930 -5.188 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.872 -9.355 -3.938 1.00 0.00 H new ATOM 0 HB ILE A 32 -9.056 -8.142 -5.685 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -8.155 -6.528 -4.062 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -9.802 -6.987 -3.677 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -10.596 -9.324 -4.170 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -9.527 -10.455 -5.033 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -9.206 -10.051 -3.330 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -8.427 -6.880 -1.658 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -8.977 -8.547 -1.951 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -7.305 -8.080 -2.342 1.00 0.00 H new ATOM 437 N GLN A 33 -7.002 -9.657 -7.200 1.00 0.00 N ATOM 438 CA GLN A 33 -6.929 -10.608 -8.303 1.00 0.00 C ATOM 439 C GLN A 33 -5.478 -10.931 -8.648 1.00 0.00 C ATOM 440 O GLN A 33 -5.153 -11.216 -9.800 1.00 0.00 O ATOM 441 CB GLN A 33 -7.646 -10.051 -9.534 1.00 0.00 C ATOM 442 CG GLN A 33 -9.161 -10.049 -9.406 1.00 0.00 C ATOM 443 CD GLN A 33 -9.675 -11.179 -8.537 1.00 0.00 C ATOM 444 OE1 GLN A 33 -9.828 -12.311 -8.997 1.00 0.00 O ATOM 445 NE2 GLN A 33 -9.944 -10.878 -7.272 1.00 0.00 N ATOM 0 H GLN A 33 -6.911 -8.680 -7.478 1.00 0.00 H new ATOM 0 HA GLN A 33 -7.423 -11.528 -7.989 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.303 -9.032 -9.714 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.364 -10.641 -10.406 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.485 -9.097 -8.986 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.606 -10.128 -10.398 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.802 -9.926 -6.933 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.292 -11.598 -6.639 1.00 0.00 H new ATOM 454 N SER A 34 -4.611 -10.883 -7.641 1.00 0.00 N ATOM 455 CA SER A 34 -3.195 -11.166 -7.839 1.00 0.00 C ATOM 456 C SER A 34 -2.709 -12.224 -6.853 1.00 0.00 C ATOM 457 O SER A 34 -2.444 -11.928 -5.688 1.00 0.00 O ATOM 458 CB SER A 34 -2.370 -9.887 -7.679 1.00 0.00 C ATOM 459 OG SER A 34 -0.989 -10.144 -7.863 1.00 0.00 O ATOM 0 H SER A 34 -4.865 -10.651 -6.681 1.00 0.00 H new ATOM 0 HA SER A 34 -3.065 -11.550 -8.851 1.00 0.00 H new ATOM 0 HB2 SER A 34 -2.704 -9.143 -8.402 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.536 -9.465 -6.688 1.00 0.00 H new ATOM 0 HG SER A 34 -0.465 -9.538 -7.299 1.00 0.00 H new ATOM 465 N ASP A 35 -2.596 -13.459 -7.329 1.00 0.00 N ATOM 466 CA ASP A 35 -2.142 -14.563 -6.490 1.00 0.00 C ATOM 467 C ASP A 35 -0.806 -14.231 -5.832 1.00 0.00 C ATOM 468 O ASP A 35 -0.484 -14.748 -4.763 1.00 0.00 O ATOM 469 CB ASP A 35 -2.012 -15.841 -7.320 1.00 0.00 C ATOM 470 CG ASP A 35 -1.698 -17.055 -6.467 1.00 0.00 C ATOM 471 OD1 ASP A 35 -2.279 -17.175 -5.368 1.00 0.00 O ATOM 472 OD2 ASP A 35 -0.872 -17.885 -6.899 1.00 0.00 O ATOM 0 H ASP A 35 -2.812 -13.721 -8.291 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.883 -14.721 -5.707 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.940 -16.013 -7.865 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.226 -15.710 -8.064 1.00 0.00 H new ATOM 477 N GLY A 36 -0.031 -13.366 -6.479 1.00 0.00 N ATOM 478 CA GLY A 36 1.261 -12.981 -5.943 1.00 0.00 C ATOM 479 C GLY A 36 1.144 -11.981 -4.809 1.00 0.00 C ATOM 480 O GLY A 36 0.041 -11.671 -4.356 1.00 0.00 O ATOM 0 H GLY A 36 -0.275 -12.925 -7.366 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.783 -13.870 -5.587 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.868 -12.552 -6.740 1.00 0.00 H new ATOM 484 N LEU A 37 2.283 -11.477 -4.348 1.00 0.00 N ATOM 485 CA LEU A 37 2.304 -10.507 -3.258 1.00 0.00 C ATOM 486 C LEU A 37 2.060 -9.095 -3.781 1.00 0.00 C ATOM 487 O LEU A 37 2.471 -8.753 -4.890 1.00 0.00 O ATOM 488 CB LEU A 37 3.643 -10.566 -2.522 1.00 0.00 C ATOM 489 CG LEU A 37 3.605 -10.233 -1.030 1.00 0.00 C ATOM 490 CD1 LEU A 37 2.996 -11.382 -0.242 1.00 0.00 C ATOM 491 CD2 LEU A 37 5.002 -9.913 -0.519 1.00 0.00 C ATOM 0 H LEU A 37 3.204 -11.723 -4.711 1.00 0.00 H new ATOM 0 HA LEU A 37 1.503 -10.761 -2.563 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.055 -11.568 -2.640 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.333 -9.878 -3.010 1.00 0.00 H new ATOM 0 HG LEU A 37 2.979 -9.352 -0.890 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.977 -11.127 0.818 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.979 -11.563 -0.590 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.595 -12.281 -0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.956 -9.678 0.544 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.652 -10.775 -0.673 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.401 -9.056 -1.062 1.00 0.00 H new ATOM 503 N TRP A 38 1.391 -8.279 -2.975 1.00 0.00 N ATOM 504 CA TRP A 38 1.094 -6.902 -3.356 1.00 0.00 C ATOM 505 C TRP A 38 1.390 -5.944 -2.208 1.00 0.00 C ATOM 506 O TRP A 38 0.979 -6.176 -1.070 1.00 0.00 O ATOM 507 CB TRP A 38 -0.370 -6.773 -3.780 1.00 0.00 C ATOM 508 CG TRP A 38 -0.560 -6.773 -5.267 1.00 0.00 C ATOM 509 CD1 TRP A 38 -0.782 -7.859 -6.064 1.00 0.00 C ATOM 510 CD2 TRP A 38 -0.543 -5.633 -6.133 1.00 0.00 C ATOM 511 NE1 TRP A 38 -0.904 -7.463 -7.374 1.00 0.00 N ATOM 512 CE2 TRP A 38 -0.762 -6.102 -7.443 1.00 0.00 C ATOM 513 CE3 TRP A 38 -0.366 -4.262 -5.929 1.00 0.00 C ATOM 514 CZ2 TRP A 38 -0.807 -5.248 -8.541 1.00 0.00 C ATOM 515 CZ3 TRP A 38 -0.410 -3.416 -7.021 1.00 0.00 C ATOM 516 CH2 TRP A 38 -0.630 -3.910 -8.313 1.00 0.00 C ATOM 0 H TRP A 38 1.044 -8.546 -2.054 1.00 0.00 H new ATOM 0 HA TRP A 38 1.733 -6.638 -4.198 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -0.940 -7.596 -3.348 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -0.780 -5.851 -3.368 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -0.851 -8.879 -5.716 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -1.073 -8.082 -8.167 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.198 -3.871 -4.936 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -0.976 -5.628 -9.538 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -0.272 -2.355 -6.875 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -0.661 -3.222 -9.145 1.00 0.00 H new ATOM 527 N LEU A 39 2.105 -4.867 -2.512 1.00 0.00 N ATOM 528 CA LEU A 39 2.457 -3.872 -1.504 1.00 0.00 C ATOM 529 C LEU A 39 1.738 -2.553 -1.768 1.00 0.00 C ATOM 530 O LEU A 39 2.149 -1.769 -2.623 1.00 0.00 O ATOM 531 CB LEU A 39 3.970 -3.647 -1.486 1.00 0.00 C ATOM 532 CG LEU A 39 4.761 -4.484 -0.481 1.00 0.00 C ATOM 533 CD1 LEU A 39 6.256 -4.296 -0.689 1.00 0.00 C ATOM 534 CD2 LEU A 39 4.368 -4.119 0.943 1.00 0.00 C ATOM 0 H LEU A 39 2.453 -4.660 -3.448 1.00 0.00 H new ATOM 0 HA LEU A 39 2.141 -4.249 -0.531 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.359 -3.850 -2.484 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.158 -2.594 -1.279 1.00 0.00 H new ATOM 0 HG LEU A 39 4.522 -5.535 -0.644 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.803 -4.900 0.035 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.525 -4.608 -1.698 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.513 -3.245 -0.554 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.941 -4.725 1.645 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.577 -3.064 1.119 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.304 -4.307 1.086 1.00 0.00 H new ATOM 546 N VAL A 40 0.662 -2.312 -1.024 1.00 0.00 N ATOM 547 CA VAL A 40 -0.112 -1.086 -1.175 1.00 0.00 C ATOM 548 C VAL A 40 0.232 -0.081 -0.082 1.00 0.00 C ATOM 549 O VAL A 40 0.140 -0.386 1.106 1.00 0.00 O ATOM 550 CB VAL A 40 -1.626 -1.370 -1.138 1.00 0.00 C ATOM 551 CG1 VAL A 40 -2.413 -0.117 -1.489 1.00 0.00 C ATOM 552 CG2 VAL A 40 -1.976 -2.511 -2.081 1.00 0.00 C ATOM 0 H VAL A 40 0.307 -2.950 -0.311 1.00 0.00 H new ATOM 0 HA VAL A 40 0.148 -0.665 -2.146 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.898 -1.669 -0.126 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.480 -0.337 -1.458 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.183 0.670 -0.771 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.140 0.215 -2.491 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.049 -2.699 -2.043 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.691 -2.243 -3.098 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.439 -3.410 -1.779 1.00 0.00 H new ATOM 562 N GLU A 41 0.629 1.120 -0.493 1.00 0.00 N ATOM 563 CA GLU A 41 0.987 2.170 0.452 1.00 0.00 C ATOM 564 C GLU A 41 0.034 3.357 0.335 1.00 0.00 C ATOM 565 O GLU A 41 -0.120 3.939 -0.739 1.00 0.00 O ATOM 566 CB GLU A 41 2.426 2.632 0.214 1.00 0.00 C ATOM 567 CG GLU A 41 2.727 4.006 0.789 1.00 0.00 C ATOM 568 CD GLU A 41 2.730 5.093 -0.268 1.00 0.00 C ATOM 569 OE1 GLU A 41 1.947 4.981 -1.235 1.00 0.00 O ATOM 570 OE2 GLU A 41 3.515 6.055 -0.129 1.00 0.00 O ATOM 0 H GLU A 41 0.710 1.389 -1.474 1.00 0.00 H new ATOM 0 HA GLU A 41 0.906 1.760 1.459 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.109 1.906 0.654 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.622 2.645 -0.858 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.986 4.247 1.551 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.698 3.984 1.285 1.00 0.00 H new ATOM 577 N PHE A 42 -0.603 3.709 1.446 1.00 0.00 N ATOM 578 CA PHE A 42 -1.541 4.825 1.468 1.00 0.00 C ATOM 579 C PHE A 42 -0.833 6.125 1.835 1.00 0.00 C ATOM 580 O PHE A 42 -0.559 6.387 3.007 1.00 0.00 O ATOM 581 CB PHE A 42 -2.671 4.549 2.463 1.00 0.00 C ATOM 582 CG PHE A 42 -3.459 3.310 2.145 1.00 0.00 C ATOM 583 CD1 PHE A 42 -3.006 2.063 2.545 1.00 0.00 C ATOM 584 CD2 PHE A 42 -4.653 3.393 1.447 1.00 0.00 C ATOM 585 CE1 PHE A 42 -3.729 0.922 2.256 1.00 0.00 C ATOM 586 CE2 PHE A 42 -5.380 2.254 1.154 1.00 0.00 C ATOM 587 CZ PHE A 42 -4.918 1.017 1.558 1.00 0.00 C ATOM 0 H PHE A 42 -0.487 3.238 2.343 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.963 4.932 0.469 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.249 4.455 3.463 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.346 5.405 2.481 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -2.077 1.982 3.089 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -5.020 4.358 1.128 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.365 -0.044 2.575 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.309 2.332 0.609 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.484 0.126 1.329 1.00 0.00 H new ATOM 597 N TYR A 43 -0.537 6.936 0.825 1.00 0.00 N ATOM 598 CA TYR A 43 0.143 8.208 1.040 1.00 0.00 C ATOM 599 C TYR A 43 -0.832 9.375 0.913 1.00 0.00 C ATOM 600 O TYR A 43 -2.002 9.187 0.582 1.00 0.00 O ATOM 601 CB TYR A 43 1.288 8.374 0.039 1.00 0.00 C ATOM 602 CG TYR A 43 0.828 8.767 -1.347 1.00 0.00 C ATOM 603 CD1 TYR A 43 0.507 10.085 -1.645 1.00 0.00 C ATOM 604 CD2 TYR A 43 0.715 7.820 -2.357 1.00 0.00 C ATOM 605 CE1 TYR A 43 0.086 10.449 -2.910 1.00 0.00 C ATOM 606 CE2 TYR A 43 0.296 8.175 -3.625 1.00 0.00 C ATOM 607 CZ TYR A 43 -0.017 9.490 -3.896 1.00 0.00 C ATOM 608 OH TYR A 43 -0.436 9.848 -5.157 1.00 0.00 O ATOM 0 H TYR A 43 -0.757 6.735 -0.150 1.00 0.00 H new ATOM 0 HA TYR A 43 0.551 8.207 2.051 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.979 9.131 0.412 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.844 7.438 -0.023 1.00 0.00 H new ATOM 0 HD1 TYR A 43 0.588 10.838 -0.875 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.959 6.789 -2.148 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.161 11.478 -3.125 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.214 7.427 -4.399 1.00 0.00 H new ATOM 0 HH TYR A 43 -0.453 9.056 -5.733 1.00 0.00 H new ATOM 618 N ALA A 44 -0.339 10.580 1.178 1.00 0.00 N ATOM 619 CA ALA A 44 -1.164 11.779 1.091 1.00 0.00 C ATOM 620 C ALA A 44 -0.432 12.896 0.354 1.00 0.00 C ATOM 621 O ALA A 44 0.646 13.336 0.756 1.00 0.00 O ATOM 622 CB ALA A 44 -1.573 12.240 2.482 1.00 0.00 C ATOM 0 H ALA A 44 0.628 10.752 1.455 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.062 11.533 0.524 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.189 13.136 2.402 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.142 11.451 2.974 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.682 12.463 3.068 1.00 0.00 H new ATOM 628 N PRO A 45 -1.030 13.368 -0.750 1.00 0.00 N ATOM 629 CA PRO A 45 -0.452 14.441 -1.566 1.00 0.00 C ATOM 630 C PRO A 45 -0.481 15.789 -0.855 1.00 0.00 C ATOM 631 O PRO A 45 -0.114 16.813 -1.432 1.00 0.00 O ATOM 632 CB PRO A 45 -1.352 14.469 -2.804 1.00 0.00 C ATOM 633 CG PRO A 45 -2.653 13.912 -2.338 1.00 0.00 C ATOM 634 CD PRO A 45 -2.315 12.892 -1.287 1.00 0.00 C ATOM 0 HA PRO A 45 0.599 14.261 -1.791 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -1.469 15.483 -3.185 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.932 13.871 -3.613 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -3.289 14.697 -1.929 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -3.200 13.456 -3.163 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -3.081 12.844 -0.513 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -2.227 11.892 -1.711 1.00 0.00 H new ATOM 642 N TRP A 46 -0.920 15.783 0.398 1.00 0.00 N ATOM 643 CA TRP A 46 -0.996 17.007 1.188 1.00 0.00 C ATOM 644 C TRP A 46 -0.089 16.924 2.410 1.00 0.00 C ATOM 645 O TRP A 46 0.187 17.934 3.059 1.00 0.00 O ATOM 646 CB TRP A 46 -2.439 17.267 1.625 1.00 0.00 C ATOM 647 CG TRP A 46 -3.048 16.120 2.374 1.00 0.00 C ATOM 648 CD1 TRP A 46 -4.021 15.273 1.925 1.00 0.00 C ATOM 649 CD2 TRP A 46 -2.727 15.698 3.703 1.00 0.00 C ATOM 650 NE1 TRP A 46 -4.323 14.349 2.896 1.00 0.00 N ATOM 651 CE2 TRP A 46 -3.543 14.588 3.996 1.00 0.00 C ATOM 652 CE3 TRP A 46 -1.829 16.148 4.675 1.00 0.00 C ATOM 653 CZ2 TRP A 46 -3.486 13.924 5.219 1.00 0.00 C ATOM 654 CZ3 TRP A 46 -1.774 15.489 5.888 1.00 0.00 C ATOM 655 CH2 TRP A 46 -2.598 14.387 6.151 1.00 0.00 C ATOM 0 H TRP A 46 -1.229 14.944 0.889 1.00 0.00 H new ATOM 0 HA TRP A 46 -0.658 17.834 0.564 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.466 18.157 2.253 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -3.045 17.480 0.744 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -4.484 15.322 0.951 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -5.016 13.605 2.811 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -1.189 16.996 4.481 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -4.120 13.074 5.424 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.084 15.829 6.646 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -2.531 13.893 7.109 1.00 0.00 H new ATOM 666 N CYS A 47 0.372 15.717 2.718 1.00 0.00 N ATOM 667 CA CYS A 47 1.249 15.503 3.864 1.00 0.00 C ATOM 668 C CYS A 47 2.709 15.721 3.480 1.00 0.00 C ATOM 669 O CYS A 47 3.021 16.009 2.325 1.00 0.00 O ATOM 670 CB CYS A 47 1.061 14.091 4.420 1.00 0.00 C ATOM 671 SG CYS A 47 1.287 13.966 6.210 1.00 0.00 S ATOM 0 H CYS A 47 0.153 14.872 2.191 1.00 0.00 H new ATOM 0 HA CYS A 47 0.983 16.227 4.634 1.00 0.00 H new ATOM 0 HB2 CYS A 47 0.060 13.742 4.166 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.766 13.421 3.928 1.00 0.00 H new ATOM 0 HG CYS A 47 1.806 12.811 6.502 1.00 0.00 H new ATOM 677 N GLY A 48 3.600 15.583 4.457 1.00 0.00 N ATOM 678 CA GLY A 48 5.016 15.770 4.201 1.00 0.00 C ATOM 679 C GLY A 48 5.760 14.456 4.069 1.00 0.00 C ATOM 680 O GLY A 48 6.218 14.100 2.982 1.00 0.00 O ATOM 0 H GLY A 48 3.366 15.345 5.421 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.143 16.349 3.287 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.455 16.353 5.011 1.00 0.00 H new ATOM 684 N HIS A 49 5.883 13.733 5.177 1.00 0.00 N ATOM 685 CA HIS A 49 6.578 12.450 5.180 1.00 0.00 C ATOM 686 C HIS A 49 6.095 11.568 4.033 1.00 0.00 C ATOM 687 O HIS A 49 6.768 10.612 3.647 1.00 0.00 O ATOM 688 CB HIS A 49 6.365 11.734 6.515 1.00 0.00 C ATOM 689 CG HIS A 49 4.950 11.782 7.001 1.00 0.00 C ATOM 690 ND1 HIS A 49 4.611 12.091 8.302 1.00 0.00 N ATOM 691 CD2 HIS A 49 3.783 11.559 6.353 1.00 0.00 C ATOM 692 CE1 HIS A 49 3.297 12.055 8.432 1.00 0.00 C ATOM 693 NE2 HIS A 49 2.770 11.735 7.264 1.00 0.00 N ATOM 0 H HIS A 49 5.511 14.013 6.084 1.00 0.00 H new ATOM 0 HA HIS A 49 7.643 12.641 5.044 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.670 10.693 6.412 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.014 12.183 7.267 1.00 0.00 H new ATOM 0 HD1 HIS A 49 5.272 12.313 9.047 1.00 0.00 H new ATOM 0 HD2 HIS A 49 3.669 11.292 5.313 1.00 0.00 H new ATOM 0 HE1 HIS A 49 2.747 12.254 9.340 1.00 0.00 H new ATOM 702 N CYS A 50 4.925 11.894 3.495 1.00 0.00 N ATOM 703 CA CYS A 50 4.351 11.130 2.393 1.00 0.00 C ATOM 704 C CYS A 50 4.965 11.551 1.061 1.00 0.00 C ATOM 705 O CYS A 50 5.407 10.711 0.278 1.00 0.00 O ATOM 706 CB CYS A 50 2.834 11.317 2.351 1.00 0.00 C ATOM 707 SG CYS A 50 1.939 10.380 3.612 1.00 0.00 S ATOM 0 H CYS A 50 4.355 12.682 3.804 1.00 0.00 H new ATOM 0 HA CYS A 50 4.575 10.076 2.559 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.606 12.376 2.471 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.469 11.022 1.367 1.00 0.00 H new ATOM 0 HG CYS A 50 1.001 11.123 4.121 1.00 0.00 H new ATOM 713 N GLN A 51 4.986 12.857 0.812 1.00 0.00 N ATOM 714 CA GLN A 51 5.543 13.388 -0.426 1.00 0.00 C ATOM 715 C GLN A 51 7.027 13.055 -0.542 1.00 0.00 C ATOM 716 O GLN A 51 7.575 12.994 -1.643 1.00 0.00 O ATOM 717 CB GLN A 51 5.342 14.903 -0.491 1.00 0.00 C ATOM 718 CG GLN A 51 3.883 15.326 -0.440 1.00 0.00 C ATOM 719 CD GLN A 51 3.712 16.796 -0.113 1.00 0.00 C ATOM 720 OE1 GLN A 51 4.680 17.558 -0.104 1.00 0.00 O ATOM 721 NE2 GLN A 51 2.478 17.204 0.158 1.00 0.00 N ATOM 0 H GLN A 51 4.624 13.565 1.450 1.00 0.00 H new ATOM 0 HA GLN A 51 5.018 12.922 -1.260 1.00 0.00 H new ATOM 0 HB2 GLN A 51 5.876 15.368 0.338 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.789 15.281 -1.410 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.414 15.115 -1.401 1.00 0.00 H new ATOM 0 HG3 GLN A 51 3.361 14.728 0.308 1.00 0.00 H new ATOM 0 HE21 GLN A 51 1.705 16.539 0.139 1.00 0.00 H new ATOM 0 HE22 GLN A 51 2.303 18.183 0.385 1.00 0.00 H new ATOM 730 N ARG A 52 7.672 12.841 0.600 1.00 0.00 N ATOM 731 CA ARG A 52 9.093 12.516 0.626 1.00 0.00 C ATOM 732 C ARG A 52 9.307 11.009 0.519 1.00 0.00 C ATOM 733 O ARG A 52 10.443 10.536 0.444 1.00 0.00 O ATOM 734 CB ARG A 52 9.735 13.043 1.910 1.00 0.00 C ATOM 735 CG ARG A 52 9.142 12.449 3.176 1.00 0.00 C ATOM 736 CD ARG A 52 9.847 11.161 3.572 1.00 0.00 C ATOM 737 NE ARG A 52 10.999 11.410 4.434 1.00 0.00 N ATOM 738 CZ ARG A 52 11.564 10.478 5.193 1.00 0.00 C ATOM 739 NH1 ARG A 52 11.085 9.242 5.197 1.00 0.00 N ATOM 740 NH2 ARG A 52 12.610 10.782 5.951 1.00 0.00 N ATOM 0 H ARG A 52 7.233 12.887 1.520 1.00 0.00 H new ATOM 0 HA ARG A 52 9.566 12.995 -0.231 1.00 0.00 H new ATOM 0 HB2 ARG A 52 10.804 12.831 1.885 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.626 14.127 1.942 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.219 13.171 3.989 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.081 12.252 3.024 1.00 0.00 H new ATOM 0 HD2 ARG A 52 9.144 10.507 4.087 1.00 0.00 H new ATOM 0 HD3 ARG A 52 10.173 10.635 2.674 1.00 0.00 H new ATOM 0 HE ARG A 52 11.391 12.351 4.454 1.00 0.00 H new ATOM 0 HH11 ARG A 52 10.281 9.005 4.616 1.00 0.00 H new ATOM 0 HH12 ARG A 52 11.521 8.528 5.781 1.00 0.00 H new ATOM 0 HH21 ARG A 52 12.981 11.732 5.951 1.00 0.00 H new ATOM 0 HH22 ARG A 52 13.043 10.065 6.534 1.00 0.00 H new ATOM 754 N LEU A 53 8.211 10.259 0.512 1.00 0.00 N ATOM 755 CA LEU A 53 8.278 8.805 0.415 1.00 0.00 C ATOM 756 C LEU A 53 8.000 8.341 -1.011 1.00 0.00 C ATOM 757 O LEU A 53 7.877 7.144 -1.274 1.00 0.00 O ATOM 758 CB LEU A 53 7.277 8.163 1.377 1.00 0.00 C ATOM 759 CG LEU A 53 7.397 6.650 1.560 1.00 0.00 C ATOM 760 CD1 LEU A 53 8.748 6.290 2.159 1.00 0.00 C ATOM 761 CD2 LEU A 53 6.267 6.127 2.435 1.00 0.00 C ATOM 0 H LEU A 53 7.264 10.634 0.572 1.00 0.00 H new ATOM 0 HA LEU A 53 9.286 8.493 0.689 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.386 8.637 2.353 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.270 8.387 1.025 1.00 0.00 H new ATOM 0 HG LEU A 53 7.319 6.178 0.581 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.815 5.209 2.282 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.543 6.630 1.495 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.856 6.773 3.130 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.369 5.048 2.554 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.313 6.606 3.413 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.309 6.351 1.965 1.00 0.00 H new ATOM 773 N THR A 54 7.904 9.296 -1.930 1.00 0.00 N ATOM 774 CA THR A 54 7.642 8.986 -3.330 1.00 0.00 C ATOM 775 C THR A 54 8.806 8.224 -3.952 1.00 0.00 C ATOM 776 O THR A 54 8.634 7.168 -4.561 1.00 0.00 O ATOM 777 CB THR A 54 7.383 10.265 -4.150 1.00 0.00 C ATOM 778 OG1 THR A 54 6.914 11.311 -3.292 1.00 0.00 O ATOM 779 CG2 THR A 54 6.363 10.006 -5.248 1.00 0.00 C ATOM 0 H THR A 54 8.004 10.291 -1.730 1.00 0.00 H new ATOM 0 HA THR A 54 6.749 8.361 -3.353 1.00 0.00 H new ATOM 0 HB THR A 54 8.322 10.570 -4.613 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.679 11.798 -2.922 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.196 10.923 -5.813 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.737 9.230 -5.916 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.424 9.679 -4.802 1.00 0.00 H new ATOM 787 N PRO A 55 10.022 8.770 -3.796 1.00 0.00 N ATOM 788 CA PRO A 55 11.240 8.156 -4.334 1.00 0.00 C ATOM 789 C PRO A 55 11.614 6.872 -3.603 1.00 0.00 C ATOM 790 O PRO A 55 12.117 5.926 -4.209 1.00 0.00 O ATOM 791 CB PRO A 55 12.307 9.230 -4.109 1.00 0.00 C ATOM 792 CG PRO A 55 11.800 10.033 -2.962 1.00 0.00 C ATOM 793 CD PRO A 55 10.301 10.026 -3.081 1.00 0.00 C ATOM 0 HA PRO A 55 11.123 7.864 -5.378 1.00 0.00 H new ATOM 0 HB2 PRO A 55 13.276 8.784 -3.883 1.00 0.00 H new ATOM 0 HB3 PRO A 55 12.440 9.848 -4.997 1.00 0.00 H new ATOM 0 HG2 PRO A 55 12.118 9.601 -2.013 1.00 0.00 H new ATOM 0 HG3 PRO A 55 12.189 11.051 -2.996 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.820 10.047 -2.103 1.00 0.00 H new ATOM 0 HD3 PRO A 55 9.938 10.892 -3.634 1.00 0.00 H new ATOM 801 N GLU A 56 11.365 6.845 -2.297 1.00 0.00 N ATOM 802 CA GLU A 56 11.677 5.676 -1.484 1.00 0.00 C ATOM 803 C GLU A 56 10.764 4.506 -1.840 1.00 0.00 C ATOM 804 O GLU A 56 11.214 3.366 -1.955 1.00 0.00 O ATOM 805 CB GLU A 56 11.539 6.010 0.003 1.00 0.00 C ATOM 806 CG GLU A 56 12.462 7.125 0.464 1.00 0.00 C ATOM 807 CD GLU A 56 11.977 7.796 1.735 1.00 0.00 C ATOM 808 OE1 GLU A 56 11.610 7.071 2.684 1.00 0.00 O ATOM 809 OE2 GLU A 56 11.965 9.043 1.781 1.00 0.00 O ATOM 0 H GLU A 56 10.948 7.619 -1.780 1.00 0.00 H new ATOM 0 HA GLU A 56 12.707 5.386 -1.690 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.507 6.295 0.208 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.745 5.114 0.589 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.460 6.720 0.630 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.548 7.871 -0.326 1.00 0.00 H new ATOM 816 N TRP A 57 9.480 4.798 -2.013 1.00 0.00 N ATOM 817 CA TRP A 57 8.503 3.770 -2.356 1.00 0.00 C ATOM 818 C TRP A 57 8.708 3.279 -3.785 1.00 0.00 C ATOM 819 O TRP A 57 8.702 2.075 -4.045 1.00 0.00 O ATOM 820 CB TRP A 57 7.082 4.313 -2.189 1.00 0.00 C ATOM 821 CG TRP A 57 6.032 3.244 -2.211 1.00 0.00 C ATOM 822 CD1 TRP A 57 4.969 3.156 -3.064 1.00 0.00 C ATOM 823 CD2 TRP A 57 5.943 2.111 -1.339 1.00 0.00 C ATOM 824 NE1 TRP A 57 4.225 2.038 -2.774 1.00 0.00 N ATOM 825 CE2 TRP A 57 4.802 1.379 -1.721 1.00 0.00 C ATOM 826 CE3 TRP A 57 6.718 1.643 -0.275 1.00 0.00 C ATOM 827 CZ2 TRP A 57 4.419 0.207 -1.075 1.00 0.00 C ATOM 828 CZ3 TRP A 57 6.336 0.480 0.366 1.00 0.00 C ATOM 829 CH2 TRP A 57 5.196 -0.228 -0.036 1.00 0.00 C ATOM 0 H TRP A 57 9.091 5.737 -1.922 1.00 0.00 H new ATOM 0 HA TRP A 57 8.645 2.928 -1.679 1.00 0.00 H new ATOM 0 HB2 TRP A 57 7.017 4.857 -1.247 1.00 0.00 H new ATOM 0 HB3 TRP A 57 6.878 5.029 -2.985 1.00 0.00 H new ATOM 0 HD1 TRP A 57 4.746 3.861 -3.851 1.00 0.00 H new ATOM 0 HE1 TRP A 57 3.379 1.746 -3.264 1.00 0.00 H new ATOM 0 HE3 TRP A 57 7.600 2.181 0.041 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 3.540 -0.340 -1.383 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 6.927 0.110 1.191 1.00 0.00 H new ATOM 0 HH2 TRP A 57 4.925 -1.135 0.484 1.00 0.00 H new ATOM 840 N LYS A 58 8.889 4.217 -4.708 1.00 0.00 N ATOM 841 CA LYS A 58 9.098 3.880 -6.111 1.00 0.00 C ATOM 842 C LYS A 58 10.299 2.954 -6.276 1.00 0.00 C ATOM 843 O LYS A 58 10.231 1.952 -6.988 1.00 0.00 O ATOM 844 CB LYS A 58 9.303 5.151 -6.938 1.00 0.00 C ATOM 845 CG LYS A 58 8.010 5.872 -7.277 1.00 0.00 C ATOM 846 CD LYS A 58 8.250 7.028 -8.233 1.00 0.00 C ATOM 847 CE LYS A 58 7.076 7.995 -8.244 1.00 0.00 C ATOM 848 NZ LYS A 58 7.459 9.325 -8.793 1.00 0.00 N ATOM 0 H LYS A 58 8.895 5.217 -4.510 1.00 0.00 H new ATOM 0 HA LYS A 58 8.209 3.360 -6.469 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.955 5.830 -6.389 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.819 4.893 -7.863 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.307 5.169 -7.724 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.550 6.245 -6.362 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.157 7.559 -7.944 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.414 6.642 -9.239 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.266 7.576 -8.840 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.696 8.116 -7.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.632 9.956 -8.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.215 9.737 -8.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.798 9.213 -9.770 1.00 0.00 H new ATOM 862 N LYS A 59 11.398 3.295 -5.611 1.00 0.00 N ATOM 863 CA LYS A 59 12.614 2.494 -5.680 1.00 0.00 C ATOM 864 C LYS A 59 12.307 1.018 -5.446 1.00 0.00 C ATOM 865 O LYS A 59 12.735 0.156 -6.214 1.00 0.00 O ATOM 866 CB LYS A 59 13.632 2.984 -4.648 1.00 0.00 C ATOM 867 CG LYS A 59 14.475 4.151 -5.132 1.00 0.00 C ATOM 868 CD LYS A 59 15.608 4.458 -4.167 1.00 0.00 C ATOM 869 CE LYS A 59 15.102 5.169 -2.921 1.00 0.00 C ATOM 870 NZ LYS A 59 16.216 5.749 -2.122 1.00 0.00 N ATOM 0 H LYS A 59 11.471 4.122 -5.018 1.00 0.00 H new ATOM 0 HA LYS A 59 13.036 2.606 -6.679 1.00 0.00 H new ATOM 0 HB2 LYS A 59 13.104 3.279 -3.741 1.00 0.00 H new ATOM 0 HB3 LYS A 59 14.290 2.158 -4.379 1.00 0.00 H new ATOM 0 HG2 LYS A 59 14.885 3.921 -6.115 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.845 5.033 -5.247 1.00 0.00 H new ATOM 0 HD2 LYS A 59 16.105 3.531 -3.882 1.00 0.00 H new ATOM 0 HD3 LYS A 59 16.353 5.079 -4.664 1.00 0.00 H new ATOM 0 HE2 LYS A 59 14.412 5.961 -3.210 1.00 0.00 H new ATOM 0 HE3 LYS A 59 14.541 4.467 -2.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 15.830 6.225 -1.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 16.861 4.990 -1.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 16.736 6.438 -2.701 1.00 0.00 H new ATOM 884 N ALA A 60 11.564 0.734 -4.382 1.00 0.00 N ATOM 885 CA ALA A 60 11.197 -0.637 -4.050 1.00 0.00 C ATOM 886 C ALA A 60 10.359 -1.265 -5.158 1.00 0.00 C ATOM 887 O ALA A 60 10.496 -2.452 -5.456 1.00 0.00 O ATOM 888 CB ALA A 60 10.443 -0.677 -2.729 1.00 0.00 C ATOM 0 H ALA A 60 11.204 1.435 -3.735 1.00 0.00 H new ATOM 0 HA ALA A 60 12.114 -1.218 -3.950 1.00 0.00 H new ATOM 0 HB1 ALA A 60 10.175 -1.707 -2.494 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.076 -0.277 -1.937 1.00 0.00 H new ATOM 0 HB3 ALA A 60 9.537 -0.076 -2.809 1.00 0.00 H new ATOM 894 N ALA A 61 9.492 -0.462 -5.766 1.00 0.00 N ATOM 895 CA ALA A 61 8.633 -0.940 -6.842 1.00 0.00 C ATOM 896 C ALA A 61 9.457 -1.390 -8.043 1.00 0.00 C ATOM 897 O ALA A 61 9.123 -2.372 -8.707 1.00 0.00 O ATOM 898 CB ALA A 61 7.648 0.145 -7.252 1.00 0.00 C ATOM 0 H ALA A 61 9.366 0.523 -5.532 1.00 0.00 H new ATOM 0 HA ALA A 61 8.076 -1.801 -6.474 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.013 -0.226 -8.056 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.029 0.417 -6.397 1.00 0.00 H new ATOM 0 HB3 ALA A 61 8.196 1.022 -7.597 1.00 0.00 H new ATOM 904 N THR A 62 10.537 -0.665 -8.320 1.00 0.00 N ATOM 905 CA THR A 62 11.408 -0.989 -9.442 1.00 0.00 C ATOM 906 C THR A 62 12.070 -2.349 -9.251 1.00 0.00 C ATOM 907 O THR A 62 12.211 -3.120 -10.199 1.00 0.00 O ATOM 908 CB THR A 62 12.502 0.080 -9.631 1.00 0.00 C ATOM 909 OG1 THR A 62 11.904 1.373 -9.769 1.00 0.00 O ATOM 910 CG2 THR A 62 13.351 -0.226 -10.856 1.00 0.00 C ATOM 0 H THR A 62 10.829 0.151 -7.782 1.00 0.00 H new ATOM 0 HA THR A 62 10.779 -1.017 -10.332 1.00 0.00 H new ATOM 0 HB THR A 62 13.145 0.070 -8.751 1.00 0.00 H new ATOM 0 HG1 THR A 62 11.894 1.630 -10.715 1.00 0.00 H new ATOM 0 HG21 THR A 62 14.116 0.542 -10.969 1.00 0.00 H new ATOM 0 HG22 THR A 62 13.828 -1.199 -10.734 1.00 0.00 H new ATOM 0 HG23 THR A 62 12.718 -0.241 -11.743 1.00 0.00 H new ATOM 918 N ALA A 63 12.475 -2.636 -8.018 1.00 0.00 N ATOM 919 CA ALA A 63 13.120 -3.904 -7.701 1.00 0.00 C ATOM 920 C ALA A 63 12.095 -5.029 -7.591 1.00 0.00 C ATOM 921 O ALA A 63 12.291 -6.116 -8.134 1.00 0.00 O ATOM 922 CB ALA A 63 13.916 -3.784 -6.410 1.00 0.00 C ATOM 0 H ALA A 63 12.368 -2.007 -7.222 1.00 0.00 H new ATOM 0 HA ALA A 63 13.803 -4.149 -8.514 1.00 0.00 H new ATOM 0 HB1 ALA A 63 14.392 -4.739 -6.186 1.00 0.00 H new ATOM 0 HB2 ALA A 63 14.680 -3.015 -6.524 1.00 0.00 H new ATOM 0 HB3 ALA A 63 13.247 -3.512 -5.594 1.00 0.00 H new ATOM 928 N LEU A 64 11.003 -4.760 -6.884 1.00 0.00 N ATOM 929 CA LEU A 64 9.947 -5.750 -6.701 1.00 0.00 C ATOM 930 C LEU A 64 8.954 -5.706 -7.858 1.00 0.00 C ATOM 931 O LEU A 64 7.951 -6.420 -7.857 1.00 0.00 O ATOM 932 CB LEU A 64 9.218 -5.508 -5.378 1.00 0.00 C ATOM 933 CG LEU A 64 10.098 -5.142 -4.183 1.00 0.00 C ATOM 934 CD1 LEU A 64 9.257 -4.556 -3.060 1.00 0.00 C ATOM 935 CD2 LEU A 64 10.868 -6.361 -3.695 1.00 0.00 C ATOM 0 H LEU A 64 10.826 -3.865 -6.428 1.00 0.00 H new ATOM 0 HA LEU A 64 10.408 -6.738 -6.679 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.492 -4.709 -5.527 1.00 0.00 H new ATOM 0 HB3 LEU A 64 8.655 -6.407 -5.127 1.00 0.00 H new ATOM 0 HG LEU A 64 10.816 -4.387 -4.503 1.00 0.00 H new ATOM 0 HD11 LEU A 64 9.901 -4.302 -2.218 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.751 -3.658 -3.415 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.515 -5.288 -2.741 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.489 -6.082 -2.844 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.166 -7.138 -3.393 1.00 0.00 H new ATOM 0 HD23 LEU A 64 11.501 -6.737 -4.499 1.00 0.00 H new ATOM 947 N LYS A 65 9.241 -4.865 -8.846 1.00 0.00 N ATOM 948 CA LYS A 65 8.376 -4.730 -10.012 1.00 0.00 C ATOM 949 C LYS A 65 7.964 -6.099 -10.545 1.00 0.00 C ATOM 950 O LYS A 65 6.790 -6.338 -10.826 1.00 0.00 O ATOM 951 CB LYS A 65 9.086 -3.935 -11.110 1.00 0.00 C ATOM 952 CG LYS A 65 8.547 -4.208 -12.503 1.00 0.00 C ATOM 953 CD LYS A 65 9.403 -3.548 -13.571 1.00 0.00 C ATOM 954 CE LYS A 65 10.550 -4.448 -14.001 1.00 0.00 C ATOM 955 NZ LYS A 65 10.965 -4.186 -15.407 1.00 0.00 N ATOM 0 H LYS A 65 10.067 -4.266 -8.862 1.00 0.00 H new ATOM 0 HA LYS A 65 7.478 -4.193 -9.707 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.992 -2.871 -10.895 1.00 0.00 H new ATOM 0 HB3 LYS A 65 10.150 -4.172 -11.088 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.512 -5.284 -12.676 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.524 -3.840 -12.577 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.785 -3.306 -14.436 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.800 -2.607 -13.190 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.401 -4.294 -13.337 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.251 -5.491 -13.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.749 -4.820 -15.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.161 -4.357 -16.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.275 -3.198 -15.499 1.00 0.00 H new ATOM 969 N ASP A 66 8.938 -6.992 -10.682 1.00 0.00 N ATOM 970 CA ASP A 66 8.676 -8.338 -11.179 1.00 0.00 C ATOM 971 C ASP A 66 8.468 -9.313 -10.024 1.00 0.00 C ATOM 972 O ASP A 66 7.879 -10.380 -10.198 1.00 0.00 O ATOM 973 CB ASP A 66 9.831 -8.812 -12.062 1.00 0.00 C ATOM 974 CG ASP A 66 9.746 -8.262 -13.472 1.00 0.00 C ATOM 975 OD1 ASP A 66 8.634 -8.255 -14.040 1.00 0.00 O ATOM 976 OD2 ASP A 66 10.792 -7.838 -14.008 1.00 0.00 O ATOM 0 H ASP A 66 9.916 -6.808 -10.456 1.00 0.00 H new ATOM 0 HA ASP A 66 7.763 -8.308 -11.774 1.00 0.00 H new ATOM 0 HB2 ASP A 66 10.776 -8.508 -11.613 1.00 0.00 H new ATOM 0 HB3 ASP A 66 9.832 -9.901 -12.100 1.00 0.00 H new ATOM 981 N VAL A 67 8.957 -8.940 -8.846 1.00 0.00 N ATOM 982 CA VAL A 67 8.825 -9.782 -7.663 1.00 0.00 C ATOM 983 C VAL A 67 7.495 -9.537 -6.960 1.00 0.00 C ATOM 984 O VAL A 67 6.608 -10.391 -6.972 1.00 0.00 O ATOM 985 CB VAL A 67 9.973 -9.532 -6.666 1.00 0.00 C ATOM 986 CG1 VAL A 67 10.169 -10.741 -5.764 1.00 0.00 C ATOM 987 CG2 VAL A 67 11.258 -9.195 -7.407 1.00 0.00 C ATOM 0 H VAL A 67 9.448 -8.061 -8.685 1.00 0.00 H new ATOM 0 HA VAL A 67 8.868 -10.816 -8.004 1.00 0.00 H new ATOM 0 HB VAL A 67 9.708 -8.680 -6.039 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.984 -10.546 -5.067 1.00 0.00 H new ATOM 0 HG12 VAL A 67 9.252 -10.932 -5.207 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.412 -11.613 -6.372 1.00 0.00 H new ATOM 0 HG21 VAL A 67 12.058 -9.021 -6.687 1.00 0.00 H new ATOM 0 HG22 VAL A 67 11.530 -10.025 -8.059 1.00 0.00 H new ATOM 0 HG23 VAL A 67 11.108 -8.297 -8.006 1.00 0.00 H new ATOM 997 N VAL A 68 7.361 -8.365 -6.348 1.00 0.00 N ATOM 998 CA VAL A 68 6.138 -8.006 -5.640 1.00 0.00 C ATOM 999 C VAL A 68 5.497 -6.763 -6.247 1.00 0.00 C ATOM 1000 O VAL A 68 6.152 -5.736 -6.423 1.00 0.00 O ATOM 1001 CB VAL A 68 6.407 -7.754 -4.145 1.00 0.00 C ATOM 1002 CG1 VAL A 68 5.115 -7.411 -3.420 1.00 0.00 C ATOM 1003 CG2 VAL A 68 7.078 -8.964 -3.513 1.00 0.00 C ATOM 0 H VAL A 68 8.085 -7.647 -6.328 1.00 0.00 H new ATOM 0 HA VAL A 68 5.455 -8.850 -5.740 1.00 0.00 H new ATOM 0 HB VAL A 68 7.083 -6.904 -4.054 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.325 -7.236 -2.365 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.680 -6.512 -3.857 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.412 -8.238 -3.518 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.261 -8.768 -2.456 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.429 -9.834 -3.614 1.00 0.00 H new ATOM 0 HG23 VAL A 68 8.026 -9.158 -4.015 1.00 0.00 H new ATOM 1013 N LYS A 69 4.211 -6.863 -6.564 1.00 0.00 N ATOM 1014 CA LYS A 69 3.478 -5.746 -7.150 1.00 0.00 C ATOM 1015 C LYS A 69 3.311 -4.615 -6.140 1.00 0.00 C ATOM 1016 O LYS A 69 2.423 -4.657 -5.288 1.00 0.00 O ATOM 1017 CB LYS A 69 2.106 -6.212 -7.642 1.00 0.00 C ATOM 1018 CG LYS A 69 2.160 -7.003 -8.937 1.00 0.00 C ATOM 1019 CD LYS A 69 2.143 -6.089 -10.151 1.00 0.00 C ATOM 1020 CE LYS A 69 2.564 -6.828 -11.412 1.00 0.00 C ATOM 1021 NZ LYS A 69 2.671 -5.912 -12.581 1.00 0.00 N ATOM 0 H LYS A 69 3.654 -7.706 -6.425 1.00 0.00 H new ATOM 0 HA LYS A 69 4.053 -5.371 -7.997 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.642 -6.826 -6.870 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.466 -5.342 -7.784 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.062 -7.614 -8.953 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.312 -7.686 -8.983 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.142 -5.680 -10.285 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.812 -5.245 -9.982 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.524 -7.316 -11.244 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.841 -7.614 -11.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.960 -6.453 -13.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.749 -5.465 -12.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.379 -5.177 -12.382 1.00 0.00 H new ATOM 1035 N VAL A 70 4.169 -3.606 -6.241 1.00 0.00 N ATOM 1036 CA VAL A 70 4.114 -2.462 -5.338 1.00 0.00 C ATOM 1037 C VAL A 70 3.246 -1.349 -5.913 1.00 0.00 C ATOM 1038 O VAL A 70 3.691 -0.575 -6.759 1.00 0.00 O ATOM 1039 CB VAL A 70 5.522 -1.905 -5.052 1.00 0.00 C ATOM 1040 CG1 VAL A 70 5.439 -0.679 -4.155 1.00 0.00 C ATOM 1041 CG2 VAL A 70 6.401 -2.976 -4.425 1.00 0.00 C ATOM 0 H VAL A 70 4.911 -3.557 -6.939 1.00 0.00 H new ATOM 0 HA VAL A 70 3.675 -2.816 -4.405 1.00 0.00 H new ATOM 0 HB VAL A 70 5.974 -1.604 -5.997 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.443 -0.299 -3.964 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.847 0.093 -4.647 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.968 -0.951 -3.210 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.392 -2.565 -4.230 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.955 -3.310 -3.488 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.487 -3.822 -5.107 1.00 0.00 H new ATOM 1051 N GLY A 71 2.003 -1.274 -5.445 1.00 0.00 N ATOM 1052 CA GLY A 71 1.092 -0.251 -5.924 1.00 0.00 C ATOM 1053 C GLY A 71 1.140 1.009 -5.082 1.00 0.00 C ATOM 1054 O GLY A 71 2.054 1.191 -4.279 1.00 0.00 O ATOM 0 H GLY A 71 1.612 -1.903 -4.744 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.339 -0.004 -6.957 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.076 -0.645 -5.925 1.00 0.00 H new ATOM 1058 N ALA A 72 0.154 1.881 -5.268 1.00 0.00 N ATOM 1059 CA ALA A 72 0.088 3.129 -4.519 1.00 0.00 C ATOM 1060 C ALA A 72 -1.319 3.715 -4.552 1.00 0.00 C ATOM 1061 O ALA A 72 -1.865 3.985 -5.622 1.00 0.00 O ATOM 1062 CB ALA A 72 1.092 4.130 -5.072 1.00 0.00 C ATOM 0 H ALA A 72 -0.609 1.746 -5.931 1.00 0.00 H new ATOM 0 HA ALA A 72 0.340 2.915 -3.480 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.032 5.058 -4.503 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.098 3.719 -4.990 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.866 4.331 -6.119 1.00 0.00 H new ATOM 1068 N VAL A 73 -1.902 3.910 -3.374 1.00 0.00 N ATOM 1069 CA VAL A 73 -3.247 4.464 -3.268 1.00 0.00 C ATOM 1070 C VAL A 73 -3.243 5.768 -2.477 1.00 0.00 C ATOM 1071 O VAL A 73 -2.776 5.815 -1.340 1.00 0.00 O ATOM 1072 CB VAL A 73 -4.212 3.471 -2.594 1.00 0.00 C ATOM 1073 CG1 VAL A 73 -5.366 4.211 -1.936 1.00 0.00 C ATOM 1074 CG2 VAL A 73 -4.725 2.458 -3.606 1.00 0.00 C ATOM 0 H VAL A 73 -1.464 3.693 -2.479 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.590 4.659 -4.284 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.668 2.932 -1.818 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -6.037 3.493 -1.465 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.977 4.894 -1.181 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.912 4.778 -2.690 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.406 1.764 -3.113 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.253 2.978 -4.405 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.884 1.905 -4.026 1.00 0.00 H new ATOM 1084 N ASN A 74 -3.767 6.825 -3.088 1.00 0.00 N ATOM 1085 CA ASN A 74 -3.824 8.131 -2.442 1.00 0.00 C ATOM 1086 C ASN A 74 -4.861 8.139 -1.323 1.00 0.00 C ATOM 1087 O ASN A 74 -6.023 8.481 -1.542 1.00 0.00 O ATOM 1088 CB ASN A 74 -4.155 9.218 -3.467 1.00 0.00 C ATOM 1089 CG ASN A 74 -4.330 10.582 -2.828 1.00 0.00 C ATOM 1090 OD1 ASN A 74 -4.066 10.761 -1.639 1.00 0.00 O ATOM 1091 ND2 ASN A 74 -4.778 11.551 -3.617 1.00 0.00 N ATOM 0 H ASN A 74 -4.158 6.803 -4.030 1.00 0.00 H new ATOM 0 HA ASN A 74 -2.845 8.337 -2.009 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -3.359 9.267 -4.210 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -5.069 8.948 -3.996 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -4.916 12.490 -3.243 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -4.984 11.357 -4.597 1.00 0.00 H new ATOM 1098 N ALA A 75 -4.432 7.762 -0.123 1.00 0.00 N ATOM 1099 CA ALA A 75 -5.322 7.728 1.031 1.00 0.00 C ATOM 1100 C ALA A 75 -6.228 8.954 1.062 1.00 0.00 C ATOM 1101 O ALA A 75 -7.413 8.855 1.382 1.00 0.00 O ATOM 1102 CB ALA A 75 -4.515 7.633 2.317 1.00 0.00 C ATOM 0 H ALA A 75 -3.473 7.476 0.075 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.954 6.844 0.945 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.192 7.608 3.171 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -3.915 6.723 2.304 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.859 8.499 2.399 1.00 0.00 H new ATOM 1108 N ASP A 76 -5.663 10.109 0.727 1.00 0.00 N ATOM 1109 CA ASP A 76 -6.421 11.356 0.716 1.00 0.00 C ATOM 1110 C ASP A 76 -7.575 11.281 -0.278 1.00 0.00 C ATOM 1111 O ASP A 76 -8.707 11.647 0.040 1.00 0.00 O ATOM 1112 CB ASP A 76 -5.505 12.530 0.367 1.00 0.00 C ATOM 1113 CG ASP A 76 -6.236 13.859 0.386 1.00 0.00 C ATOM 1114 OD1 ASP A 76 -6.787 14.217 1.447 1.00 0.00 O ATOM 1115 OD2 ASP A 76 -6.256 14.540 -0.661 1.00 0.00 O ATOM 0 H ASP A 76 -4.684 10.208 0.460 1.00 0.00 H new ATOM 0 HA ASP A 76 -6.834 11.511 1.713 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.677 12.564 1.075 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -5.074 12.370 -0.621 1.00 0.00 H new ATOM 1120 N LYS A 77 -7.282 10.806 -1.483 1.00 0.00 N ATOM 1121 CA LYS A 77 -8.294 10.682 -2.525 1.00 0.00 C ATOM 1122 C LYS A 77 -9.142 9.432 -2.315 1.00 0.00 C ATOM 1123 O LYS A 77 -10.360 9.515 -2.157 1.00 0.00 O ATOM 1124 CB LYS A 77 -7.633 10.637 -3.905 1.00 0.00 C ATOM 1125 CG LYS A 77 -8.584 10.246 -5.023 1.00 0.00 C ATOM 1126 CD LYS A 77 -7.843 9.626 -6.195 1.00 0.00 C ATOM 1127 CE LYS A 77 -7.238 10.690 -7.098 1.00 0.00 C ATOM 1128 NZ LYS A 77 -8.227 11.209 -8.082 1.00 0.00 N ATOM 0 H LYS A 77 -6.350 10.500 -1.763 1.00 0.00 H new ATOM 0 HA LYS A 77 -8.945 11.555 -2.469 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -7.208 11.616 -4.127 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -6.805 9.928 -3.879 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -9.322 9.539 -4.643 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.130 11.126 -5.362 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -7.055 8.972 -5.823 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.528 9.004 -6.772 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -6.865 11.514 -6.489 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -6.382 10.272 -7.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -7.776 11.932 -8.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -8.565 10.428 -8.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -9.032 11.630 -7.576 1.00 0.00 H new ATOM 1142 N HIS A 78 -8.490 8.274 -2.313 1.00 0.00 N ATOM 1143 CA HIS A 78 -9.184 7.006 -2.119 1.00 0.00 C ATOM 1144 C HIS A 78 -9.426 6.739 -0.637 1.00 0.00 C ATOM 1145 O HIS A 78 -9.280 5.611 -0.168 1.00 0.00 O ATOM 1146 CB HIS A 78 -8.377 5.860 -2.730 1.00 0.00 C ATOM 1147 CG HIS A 78 -8.028 6.074 -4.171 1.00 0.00 C ATOM 1148 ND1 HIS A 78 -8.925 6.561 -5.098 1.00 0.00 N ATOM 1149 CD2 HIS A 78 -6.870 5.867 -4.842 1.00 0.00 C ATOM 1150 CE1 HIS A 78 -8.335 6.642 -6.277 1.00 0.00 C ATOM 1151 NE2 HIS A 78 -7.088 6.227 -6.149 1.00 0.00 N ATOM 0 H HIS A 78 -7.482 8.187 -2.444 1.00 0.00 H new ATOM 0 HA HIS A 78 -10.150 7.069 -2.621 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -7.459 5.728 -2.158 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -8.946 4.935 -2.636 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -5.947 5.489 -4.427 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -8.795 6.989 -7.191 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -6.399 6.181 -6.899 1.00 0.00 H new ATOM 1160 N GLN A 79 -9.795 7.786 0.095 1.00 0.00 N ATOM 1161 CA GLN A 79 -10.055 7.664 1.525 1.00 0.00 C ATOM 1162 C GLN A 79 -10.818 6.380 1.832 1.00 0.00 C ATOM 1163 O GLN A 79 -10.592 5.742 2.860 1.00 0.00 O ATOM 1164 CB GLN A 79 -10.846 8.873 2.025 1.00 0.00 C ATOM 1165 CG GLN A 79 -9.972 10.055 2.412 1.00 0.00 C ATOM 1166 CD GLN A 79 -9.365 9.904 3.794 1.00 0.00 C ATOM 1167 OE1 GLN A 79 -10.072 9.659 4.771 1.00 0.00 O ATOM 1168 NE2 GLN A 79 -8.048 10.050 3.881 1.00 0.00 N ATOM 0 H GLN A 79 -9.920 8.727 -0.278 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.096 7.627 2.041 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -11.543 9.187 1.248 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -11.442 8.575 2.887 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -9.173 10.167 1.679 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -10.566 10.968 2.378 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -7.501 10.253 3.044 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -7.583 9.959 4.785 1.00 0.00 H new ATOM 1177 N SER A 80 -11.724 6.006 0.933 1.00 0.00 N ATOM 1178 CA SER A 80 -12.524 4.800 1.110 1.00 0.00 C ATOM 1179 C SER A 80 -11.631 3.569 1.232 1.00 0.00 C ATOM 1180 O SER A 80 -11.782 2.766 2.154 1.00 0.00 O ATOM 1181 CB SER A 80 -13.492 4.628 -0.062 1.00 0.00 C ATOM 1182 OG SER A 80 -14.617 5.479 0.076 1.00 0.00 O ATOM 0 H SER A 80 -11.922 6.521 0.075 1.00 0.00 H new ATOM 0 HA SER A 80 -13.096 4.905 2.032 1.00 0.00 H new ATOM 0 HB2 SER A 80 -12.978 4.849 -0.998 1.00 0.00 H new ATOM 0 HB3 SER A 80 -13.822 3.590 -0.116 1.00 0.00 H new ATOM 0 HG SER A 80 -15.219 5.351 -0.686 1.00 0.00 H new ATOM 1188 N LEU A 81 -10.701 3.426 0.294 1.00 0.00 N ATOM 1189 CA LEU A 81 -9.782 2.293 0.295 1.00 0.00 C ATOM 1190 C LEU A 81 -8.982 2.241 1.593 1.00 0.00 C ATOM 1191 O LEU A 81 -8.926 1.208 2.258 1.00 0.00 O ATOM 1192 CB LEU A 81 -8.831 2.381 -0.900 1.00 0.00 C ATOM 1193 CG LEU A 81 -9.465 2.189 -2.278 1.00 0.00 C ATOM 1194 CD1 LEU A 81 -8.433 2.403 -3.375 1.00 0.00 C ATOM 1195 CD2 LEU A 81 -10.087 0.805 -2.391 1.00 0.00 C ATOM 0 H LEU A 81 -10.563 4.080 -0.477 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.371 1.379 0.216 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.343 3.355 -0.879 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.050 1.631 -0.774 1.00 0.00 H new ATOM 0 HG LEU A 81 -10.254 2.931 -2.400 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.902 2.262 -4.349 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.035 3.415 -3.307 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.622 1.685 -3.256 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.533 0.686 -3.378 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.317 0.047 -2.247 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.857 0.689 -1.628 1.00 0.00 H new ATOM 1207 N GLY A 82 -8.366 3.364 1.948 1.00 0.00 N ATOM 1208 CA GLY A 82 -7.579 3.426 3.166 1.00 0.00 C ATOM 1209 C GLY A 82 -8.399 3.113 4.402 1.00 0.00 C ATOM 1210 O GLY A 82 -8.109 2.160 5.123 1.00 0.00 O ATOM 0 H GLY A 82 -8.398 4.232 1.414 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.750 2.722 3.096 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.145 4.421 3.264 1.00 0.00 H new ATOM 1214 N GLY A 83 -9.427 3.921 4.648 1.00 0.00 N ATOM 1215 CA GLY A 83 -10.274 3.710 5.807 1.00 0.00 C ATOM 1216 C GLY A 83 -10.920 2.339 5.811 1.00 0.00 C ATOM 1217 O GLY A 83 -11.130 1.749 6.871 1.00 0.00 O ATOM 0 H GLY A 83 -9.687 4.717 4.066 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -9.681 3.831 6.713 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -11.051 4.474 5.829 1.00 0.00 H new ATOM 1221 N GLN A 84 -11.237 1.832 4.624 1.00 0.00 N ATOM 1222 CA GLN A 84 -11.866 0.522 4.497 1.00 0.00 C ATOM 1223 C GLN A 84 -10.986 -0.565 5.104 1.00 0.00 C ATOM 1224 O GLN A 84 -11.436 -1.690 5.326 1.00 0.00 O ATOM 1225 CB GLN A 84 -12.144 0.208 3.026 1.00 0.00 C ATOM 1226 CG GLN A 84 -12.689 -1.192 2.795 1.00 0.00 C ATOM 1227 CD GLN A 84 -13.142 -1.414 1.366 1.00 0.00 C ATOM 1228 OE1 GLN A 84 -14.340 -1.463 1.083 1.00 0.00 O ATOM 1229 NE2 GLN A 84 -12.186 -1.550 0.455 1.00 0.00 N ATOM 0 H GLN A 84 -11.069 2.308 3.737 1.00 0.00 H new ATOM 0 HA GLN A 84 -12.810 0.545 5.041 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -12.856 0.935 2.636 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -11.222 0.328 2.457 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -11.920 -1.923 3.046 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -13.527 -1.367 3.469 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -11.206 -1.503 0.733 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -12.432 -1.702 -0.523 1.00 0.00 H new ATOM 1238 N TYR A 85 -9.730 -0.223 5.370 1.00 0.00 N ATOM 1239 CA TYR A 85 -8.786 -1.172 5.949 1.00 0.00 C ATOM 1240 C TYR A 85 -8.450 -0.795 7.388 1.00 0.00 C ATOM 1241 O TYR A 85 -8.313 -1.661 8.252 1.00 0.00 O ATOM 1242 CB TYR A 85 -7.507 -1.225 5.112 1.00 0.00 C ATOM 1243 CG TYR A 85 -7.647 -2.033 3.841 1.00 0.00 C ATOM 1244 CD1 TYR A 85 -8.582 -1.685 2.874 1.00 0.00 C ATOM 1245 CD2 TYR A 85 -6.846 -3.144 3.608 1.00 0.00 C ATOM 1246 CE1 TYR A 85 -8.715 -2.420 1.712 1.00 0.00 C ATOM 1247 CE2 TYR A 85 -6.971 -3.884 2.449 1.00 0.00 C ATOM 1248 CZ TYR A 85 -7.907 -3.518 1.504 1.00 0.00 C ATOM 1249 OH TYR A 85 -8.035 -4.254 0.348 1.00 0.00 O ATOM 0 H TYR A 85 -9.342 0.704 5.194 1.00 0.00 H new ATOM 0 HA TYR A 85 -9.253 -2.157 5.950 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -7.209 -0.209 4.855 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -6.705 -1.650 5.716 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -9.216 -0.825 3.034 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -6.113 -3.434 4.346 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -9.447 -2.136 0.971 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -6.340 -4.744 2.283 1.00 0.00 H new ATOM 0 HH TYR A 85 -7.501 -3.842 -0.363 1.00 0.00 H new ATOM 1259 N GLY A 86 -8.319 0.504 7.639 1.00 0.00 N ATOM 1260 CA GLY A 86 -8.000 0.974 8.974 1.00 0.00 C ATOM 1261 C GLY A 86 -6.873 1.986 8.979 1.00 0.00 C ATOM 1262 O GLY A 86 -6.156 2.124 9.971 1.00 0.00 O ATOM 0 H GLY A 86 -8.428 1.240 6.941 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -8.888 1.422 9.420 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.724 0.124 9.598 1.00 0.00 H new ATOM 1266 N VAL A 87 -6.713 2.698 7.868 1.00 0.00 N ATOM 1267 CA VAL A 87 -5.664 3.703 7.747 1.00 0.00 C ATOM 1268 C VAL A 87 -6.061 4.998 8.447 1.00 0.00 C ATOM 1269 O VAL A 87 -7.093 5.592 8.135 1.00 0.00 O ATOM 1270 CB VAL A 87 -5.345 4.007 6.272 1.00 0.00 C ATOM 1271 CG1 VAL A 87 -4.256 5.065 6.167 1.00 0.00 C ATOM 1272 CG2 VAL A 87 -4.937 2.736 5.543 1.00 0.00 C ATOM 0 H VAL A 87 -7.297 2.597 7.038 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.775 3.292 8.226 1.00 0.00 H new ATOM 0 HB VAL A 87 -6.245 4.399 5.797 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.044 5.266 5.117 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -4.591 5.982 6.652 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -3.351 4.706 6.657 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -4.715 2.969 4.502 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.051 2.313 6.017 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.752 2.014 5.587 1.00 0.00 H new ATOM 1282 N GLN A 88 -5.235 5.430 9.394 1.00 0.00 N ATOM 1283 CA GLN A 88 -5.500 6.656 10.139 1.00 0.00 C ATOM 1284 C GLN A 88 -4.316 7.613 10.052 1.00 0.00 C ATOM 1285 O GLN A 88 -4.487 8.831 10.061 1.00 0.00 O ATOM 1286 CB GLN A 88 -5.803 6.332 11.603 1.00 0.00 C ATOM 1287 CG GLN A 88 -4.692 5.564 12.299 1.00 0.00 C ATOM 1288 CD GLN A 88 -3.644 6.476 12.906 1.00 0.00 C ATOM 1289 OE1 GLN A 88 -2.490 6.488 12.476 1.00 0.00 O ATOM 1290 NE2 GLN A 88 -4.041 7.247 13.912 1.00 0.00 N ATOM 0 H GLN A 88 -4.377 4.950 9.664 1.00 0.00 H new ATOM 0 HA GLN A 88 -6.369 7.141 9.694 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -5.983 7.262 12.142 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -6.723 5.750 11.655 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -5.122 4.940 13.082 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -4.215 4.894 11.583 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -5.007 7.205 14.236 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -3.380 7.881 14.360 1.00 0.00 H new ATOM 1299 N GLY A 89 -3.113 7.052 9.967 1.00 0.00 N ATOM 1300 CA GLY A 89 -1.918 7.871 9.881 1.00 0.00 C ATOM 1301 C GLY A 89 -0.991 7.427 8.767 1.00 0.00 C ATOM 1302 O GLY A 89 -0.493 6.301 8.775 1.00 0.00 O ATOM 0 H GLY A 89 -2.945 6.046 9.956 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.204 8.910 9.719 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.385 7.831 10.831 1.00 0.00 H new ATOM 1306 N PHE A 90 -0.758 8.313 7.804 1.00 0.00 N ATOM 1307 CA PHE A 90 0.113 8.005 6.676 1.00 0.00 C ATOM 1308 C PHE A 90 1.522 8.541 6.915 1.00 0.00 C ATOM 1309 O PHE A 90 1.743 9.435 7.732 1.00 0.00 O ATOM 1310 CB PHE A 90 -0.458 8.599 5.386 1.00 0.00 C ATOM 1311 CG PHE A 90 -1.926 8.904 5.466 1.00 0.00 C ATOM 1312 CD1 PHE A 90 -2.799 8.022 6.082 1.00 0.00 C ATOM 1313 CD2 PHE A 90 -2.434 10.075 4.925 1.00 0.00 C ATOM 1314 CE1 PHE A 90 -4.150 8.300 6.155 1.00 0.00 C ATOM 1315 CE2 PHE A 90 -3.785 10.359 4.996 1.00 0.00 C ATOM 1316 CZ PHE A 90 -4.644 9.471 5.613 1.00 0.00 C ATOM 0 H PHE A 90 -1.160 9.250 7.782 1.00 0.00 H new ATOM 0 HA PHE A 90 0.167 6.921 6.576 1.00 0.00 H new ATOM 0 HB2 PHE A 90 0.083 9.515 5.146 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -0.284 7.902 4.566 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -2.419 7.106 6.510 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -1.766 10.774 4.442 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -4.820 7.602 6.636 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -4.168 11.274 4.569 1.00 0.00 H new ATOM 0 HZ PHE A 90 -5.700 9.691 5.672 1.00 0.00 H new ATOM 1326 N PRO A 91 2.499 7.981 6.186 1.00 0.00 N ATOM 1327 CA PRO A 91 2.248 6.915 5.211 1.00 0.00 C ATOM 1328 C PRO A 91 1.857 5.600 5.877 1.00 0.00 C ATOM 1329 O PRO A 91 2.339 5.274 6.963 1.00 0.00 O ATOM 1330 CB PRO A 91 3.590 6.771 4.490 1.00 0.00 C ATOM 1331 CG PRO A 91 4.601 7.257 5.470 1.00 0.00 C ATOM 1332 CD PRO A 91 3.924 8.344 6.259 1.00 0.00 C ATOM 0 HA PRO A 91 1.416 7.156 4.549 1.00 0.00 H new ATOM 0 HB2 PRO A 91 3.778 5.735 4.208 1.00 0.00 H new ATOM 0 HB3 PRO A 91 3.612 7.360 3.573 1.00 0.00 H new ATOM 0 HG2 PRO A 91 4.932 6.449 6.123 1.00 0.00 H new ATOM 0 HG3 PRO A 91 5.486 7.638 4.961 1.00 0.00 H new ATOM 0 HD2 PRO A 91 4.279 8.373 7.289 1.00 0.00 H new ATOM 0 HD3 PRO A 91 4.111 9.328 5.829 1.00 0.00 H new ATOM 1340 N THR A 92 0.980 4.847 5.221 1.00 0.00 N ATOM 1341 CA THR A 92 0.524 3.568 5.749 1.00 0.00 C ATOM 1342 C THR A 92 0.721 2.450 4.731 1.00 0.00 C ATOM 1343 O THR A 92 -0.042 2.329 3.773 1.00 0.00 O ATOM 1344 CB THR A 92 -0.962 3.624 6.151 1.00 0.00 C ATOM 1345 OG1 THR A 92 -1.127 4.459 7.303 1.00 0.00 O ATOM 1346 CG2 THR A 92 -1.495 2.231 6.449 1.00 0.00 C ATOM 0 H THR A 92 0.571 5.102 4.322 1.00 0.00 H new ATOM 0 HA THR A 92 1.125 3.360 6.634 1.00 0.00 H new ATOM 0 HB THR A 92 -1.525 4.041 5.316 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.327 5.011 7.424 1.00 0.00 H new ATOM 0 HG21 THR A 92 -2.546 2.296 6.731 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.395 1.606 5.562 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.926 1.791 7.269 1.00 0.00 H new ATOM 1354 N ILE A 93 1.748 1.636 4.946 1.00 0.00 N ATOM 1355 CA ILE A 93 2.044 0.527 4.048 1.00 0.00 C ATOM 1356 C ILE A 93 1.357 -0.754 4.510 1.00 0.00 C ATOM 1357 O ILE A 93 1.427 -1.121 5.683 1.00 0.00 O ATOM 1358 CB ILE A 93 3.560 0.274 3.945 1.00 0.00 C ATOM 1359 CG1 ILE A 93 4.278 1.536 3.462 1.00 0.00 C ATOM 1360 CG2 ILE A 93 3.840 -0.893 3.009 1.00 0.00 C ATOM 1361 CD1 ILE A 93 5.785 1.407 3.453 1.00 0.00 C ATOM 0 H ILE A 93 2.389 1.723 5.734 1.00 0.00 H new ATOM 0 HA ILE A 93 1.663 0.807 3.066 1.00 0.00 H new ATOM 0 HB ILE A 93 3.939 0.019 4.935 1.00 0.00 H new ATOM 0 HG12 ILE A 93 3.936 1.776 2.455 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.997 2.372 4.102 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.915 -1.059 2.947 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.355 -1.791 3.392 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.450 -0.665 2.017 1.00 0.00 H new ATOM 0 HD11 ILE A 93 6.228 2.338 3.100 1.00 0.00 H new ATOM 0 HD12 ILE A 93 6.138 1.197 4.463 1.00 0.00 H new ATOM 0 HD13 ILE A 93 6.076 0.592 2.790 1.00 0.00 H new ATOM 1373 N LYS A 94 0.693 -1.432 3.579 1.00 0.00 N ATOM 1374 CA LYS A 94 -0.005 -2.674 3.889 1.00 0.00 C ATOM 1375 C LYS A 94 0.426 -3.790 2.943 1.00 0.00 C ATOM 1376 O LYS A 94 0.400 -3.627 1.723 1.00 0.00 O ATOM 1377 CB LYS A 94 -1.519 -2.468 3.796 1.00 0.00 C ATOM 1378 CG LYS A 94 -2.108 -1.738 4.991 1.00 0.00 C ATOM 1379 CD LYS A 94 -2.257 -2.660 6.189 1.00 0.00 C ATOM 1380 CE LYS A 94 -3.214 -2.082 7.221 1.00 0.00 C ATOM 1381 NZ LYS A 94 -3.135 -2.808 8.519 1.00 0.00 N ATOM 0 H LYS A 94 0.624 -1.142 2.604 1.00 0.00 H new ATOM 0 HA LYS A 94 0.254 -2.964 4.907 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.746 -1.906 2.890 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -2.004 -3.439 3.699 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -1.468 -0.896 5.256 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -3.081 -1.327 4.724 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -2.621 -3.633 5.858 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.282 -2.824 6.647 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -2.984 -1.028 7.380 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -4.234 -2.132 6.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -3.802 -2.384 9.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -3.379 -3.808 8.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.169 -2.739 8.897 1.00 0.00 H new ATOM 1395 N ILE A 95 0.821 -4.923 3.514 1.00 0.00 N ATOM 1396 CA ILE A 95 1.254 -6.067 2.721 1.00 0.00 C ATOM 1397 C ILE A 95 0.071 -6.948 2.335 1.00 0.00 C ATOM 1398 O ILE A 95 -0.835 -7.176 3.137 1.00 0.00 O ATOM 1399 CB ILE A 95 2.289 -6.918 3.480 1.00 0.00 C ATOM 1400 CG1 ILE A 95 3.569 -6.115 3.716 1.00 0.00 C ATOM 1401 CG2 ILE A 95 2.592 -8.195 2.709 1.00 0.00 C ATOM 1402 CD1 ILE A 95 4.381 -6.603 4.895 1.00 0.00 C ATOM 0 H ILE A 95 0.850 -5.073 4.522 1.00 0.00 H new ATOM 0 HA ILE A 95 1.716 -5.669 1.818 1.00 0.00 H new ATOM 0 HB ILE A 95 1.872 -7.192 4.449 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.186 -6.158 2.818 1.00 0.00 H new ATOM 0 HG13 ILE A 95 3.308 -5.069 3.874 1.00 0.00 H new ATOM 0 HG21 ILE A 95 3.325 -8.786 3.258 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.676 -8.773 2.589 1.00 0.00 H new ATOM 0 HG23 ILE A 95 2.992 -7.941 1.727 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.274 -5.987 5.002 1.00 0.00 H new ATOM 0 HD12 ILE A 95 3.782 -6.534 5.803 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.673 -7.640 4.731 1.00 0.00 H new ATOM 1414 N PHE A 96 0.087 -7.444 1.102 1.00 0.00 N ATOM 1415 CA PHE A 96 -0.984 -8.302 0.609 1.00 0.00 C ATOM 1416 C PHE A 96 -0.438 -9.661 0.179 1.00 0.00 C ATOM 1417 O PHE A 96 0.488 -9.743 -0.627 1.00 0.00 O ATOM 1418 CB PHE A 96 -1.703 -7.634 -0.564 1.00 0.00 C ATOM 1419 CG PHE A 96 -2.677 -6.571 -0.144 1.00 0.00 C ATOM 1420 CD1 PHE A 96 -2.228 -5.376 0.396 1.00 0.00 C ATOM 1421 CD2 PHE A 96 -4.041 -6.766 -0.288 1.00 0.00 C ATOM 1422 CE1 PHE A 96 -3.122 -4.395 0.783 1.00 0.00 C ATOM 1423 CE2 PHE A 96 -4.939 -5.789 0.098 1.00 0.00 C ATOM 1424 CZ PHE A 96 -4.479 -4.603 0.635 1.00 0.00 C ATOM 0 H PHE A 96 0.830 -7.266 0.426 1.00 0.00 H new ATOM 0 HA PHE A 96 -1.695 -8.456 1.421 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -0.962 -7.193 -1.231 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -2.233 -8.396 -1.136 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -1.168 -5.209 0.516 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -4.407 -7.692 -0.707 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -2.759 -3.467 1.200 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -6.000 -5.953 -0.020 1.00 0.00 H new ATOM 0 HZ PHE A 96 -5.180 -3.839 0.939 1.00 0.00 H new ATOM 1434 N GLY A 97 -1.019 -10.725 0.724 1.00 0.00 N ATOM 1435 CA GLY A 97 -0.578 -12.066 0.386 1.00 0.00 C ATOM 1436 C GLY A 97 -1.513 -13.135 0.916 1.00 0.00 C ATOM 1437 O GLY A 97 -2.490 -13.494 0.261 1.00 0.00 O ATOM 0 H GLY A 97 -1.787 -10.683 1.394 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -0.503 -12.158 -0.698 1.00 0.00 H new ATOM 0 HA3 GLY A 97 0.421 -12.229 0.790 1.00 0.00 H new ATOM 1441 N ALA A 98 -1.211 -13.645 2.106 1.00 0.00 N ATOM 1442 CA ALA A 98 -2.032 -14.679 2.723 1.00 0.00 C ATOM 1443 C ALA A 98 -3.516 -14.418 2.484 1.00 0.00 C ATOM 1444 O ALA A 98 -4.165 -15.130 1.719 1.00 0.00 O ATOM 1445 CB ALA A 98 -1.743 -14.762 4.215 1.00 0.00 C ATOM 0 H ALA A 98 -0.405 -13.359 2.661 1.00 0.00 H new ATOM 0 HA ALA A 98 -1.779 -15.633 2.261 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -2.363 -15.538 4.663 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -0.691 -15.004 4.369 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -1.967 -13.803 4.683 1.00 0.00 H new ATOM 1451 N ASN A 99 -4.046 -13.394 3.144 1.00 0.00 N ATOM 1452 CA ASN A 99 -5.454 -13.040 3.004 1.00 0.00 C ATOM 1453 C ASN A 99 -5.609 -11.691 2.308 1.00 0.00 C ATOM 1454 O ASN A 99 -5.603 -10.643 2.954 1.00 0.00 O ATOM 1455 CB ASN A 99 -6.130 -13.000 4.376 1.00 0.00 C ATOM 1456 CG ASN A 99 -7.640 -12.903 4.273 1.00 0.00 C ATOM 1457 OD1 ASN A 99 -8.259 -13.552 3.430 1.00 0.00 O ATOM 1458 ND2 ASN A 99 -8.240 -12.088 5.133 1.00 0.00 N ATOM 0 H ASN A 99 -3.522 -12.794 3.781 1.00 0.00 H new ATOM 0 HA ASN A 99 -5.936 -13.802 2.391 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -5.863 -13.896 4.936 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -5.751 -12.148 4.940 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -9.254 -11.981 5.111 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -7.687 -11.569 5.815 1.00 0.00 H new ATOM 1465 N LYS A 100 -5.749 -11.725 0.988 1.00 0.00 N ATOM 1466 CA LYS A 100 -5.908 -10.507 0.203 1.00 0.00 C ATOM 1467 C LYS A 100 -7.020 -9.633 0.774 1.00 0.00 C ATOM 1468 O LYS A 100 -7.098 -8.441 0.480 1.00 0.00 O ATOM 1469 CB LYS A 100 -6.214 -10.852 -1.256 1.00 0.00 C ATOM 1470 CG LYS A 100 -4.977 -11.170 -2.079 1.00 0.00 C ATOM 1471 CD LYS A 100 -3.994 -10.011 -2.078 1.00 0.00 C ATOM 1472 CE LYS A 100 -2.960 -10.157 -3.185 1.00 0.00 C ATOM 1473 NZ LYS A 100 -2.062 -11.322 -2.954 1.00 0.00 N ATOM 0 H LYS A 100 -5.756 -12.584 0.438 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.972 -9.950 0.249 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.889 -11.708 -1.284 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.741 -10.016 -1.716 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.492 -12.060 -1.679 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.270 -11.399 -3.104 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -4.535 -9.073 -2.205 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -3.491 -9.960 -1.113 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -3.467 -10.274 -4.143 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -2.365 -9.246 -3.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -1.109 -11.101 -3.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -2.014 -11.527 -1.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -2.434 -12.152 -3.457 1.00 0.00 H new ATOM 1487 N ASN A 101 -7.877 -10.234 1.592 1.00 0.00 N ATOM 1488 CA ASN A 101 -8.985 -9.510 2.205 1.00 0.00 C ATOM 1489 C ASN A 101 -8.505 -8.695 3.402 1.00 0.00 C ATOM 1490 O ASN A 101 -9.049 -7.631 3.702 1.00 0.00 O ATOM 1491 CB ASN A 101 -10.079 -10.485 2.644 1.00 0.00 C ATOM 1492 CG ASN A 101 -11.060 -10.793 1.529 1.00 0.00 C ATOM 1493 OD1 ASN A 101 -12.070 -10.107 1.369 1.00 0.00 O ATOM 1494 ND2 ASN A 101 -10.766 -11.829 0.751 1.00 0.00 N ATOM 0 H ASN A 101 -7.826 -11.221 1.846 1.00 0.00 H new ATOM 0 HA ASN A 101 -9.395 -8.826 1.462 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -9.620 -11.412 2.986 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -10.618 -10.064 3.493 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -11.389 -12.084 -0.016 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -9.918 -12.370 0.920 1.00 0.00 H new ATOM 1501 N LYS A 102 -7.483 -9.200 4.084 1.00 0.00 N ATOM 1502 CA LYS A 102 -6.927 -8.519 5.247 1.00 0.00 C ATOM 1503 C LYS A 102 -5.403 -8.570 5.231 1.00 0.00 C ATOM 1504 O LYS A 102 -4.788 -9.579 5.579 1.00 0.00 O ATOM 1505 CB LYS A 102 -7.456 -9.154 6.536 1.00 0.00 C ATOM 1506 CG LYS A 102 -8.953 -9.406 6.520 1.00 0.00 C ATOM 1507 CD LYS A 102 -9.449 -9.905 7.866 1.00 0.00 C ATOM 1508 CE LYS A 102 -9.404 -11.423 7.949 1.00 0.00 C ATOM 1509 NZ LYS A 102 -9.442 -11.903 9.358 1.00 0.00 N ATOM 0 H LYS A 102 -7.022 -10.080 3.851 1.00 0.00 H new ATOM 0 HA LYS A 102 -7.238 -7.475 5.209 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -6.939 -10.099 6.704 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -7.214 -8.504 7.377 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -9.475 -8.486 6.257 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -9.191 -10.139 5.749 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -8.838 -9.478 8.661 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -10.470 -9.561 8.029 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -10.247 -11.842 7.400 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -8.497 -11.786 7.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -9.410 -12.942 9.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -8.624 -11.524 9.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -10.320 -11.578 9.812 1.00 0.00 H new ATOM 1523 N PRO A 103 -4.777 -7.458 4.819 1.00 0.00 N ATOM 1524 CA PRO A 103 -3.316 -7.351 4.750 1.00 0.00 C ATOM 1525 C PRO A 103 -2.671 -7.320 6.131 1.00 0.00 C ATOM 1526 O PRO A 103 -3.363 -7.314 7.148 1.00 0.00 O ATOM 1527 CB PRO A 103 -3.092 -6.022 4.025 1.00 0.00 C ATOM 1528 CG PRO A 103 -4.320 -5.226 4.303 1.00 0.00 C ATOM 1529 CD PRO A 103 -5.446 -6.219 4.389 1.00 0.00 C ATOM 0 HA PRO A 103 -2.868 -8.208 4.247 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -2.200 -5.515 4.394 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -2.953 -6.174 2.955 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -4.221 -4.667 5.234 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -4.501 -4.498 3.512 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -6.206 -5.904 5.104 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -5.945 -6.345 3.428 1.00 0.00 H new ATOM 1537 N GLU A 104 -1.342 -7.299 6.158 1.00 0.00 N ATOM 1538 CA GLU A 104 -0.605 -7.269 7.416 1.00 0.00 C ATOM 1539 C GLU A 104 0.160 -5.957 7.567 1.00 0.00 C ATOM 1540 O GLU A 104 0.681 -5.414 6.592 1.00 0.00 O ATOM 1541 CB GLU A 104 0.365 -8.449 7.493 1.00 0.00 C ATOM 1542 CG GLU A 104 1.496 -8.375 6.481 1.00 0.00 C ATOM 1543 CD GLU A 104 2.671 -9.258 6.853 1.00 0.00 C ATOM 1544 OE1 GLU A 104 2.605 -10.477 6.588 1.00 0.00 O ATOM 1545 OE2 GLU A 104 3.657 -8.730 7.410 1.00 0.00 O ATOM 0 H GLU A 104 -0.754 -7.302 5.324 1.00 0.00 H new ATOM 0 HA GLU A 104 -1.325 -7.346 8.231 1.00 0.00 H new ATOM 0 HB2 GLU A 104 0.789 -8.495 8.496 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -0.189 -9.375 7.339 1.00 0.00 H new ATOM 0 HG2 GLU A 104 1.121 -8.670 5.501 1.00 0.00 H new ATOM 0 HG3 GLU A 104 1.835 -7.343 6.396 1.00 0.00 H new ATOM 1552 N ASP A 105 0.223 -5.453 8.794 1.00 0.00 N ATOM 1553 CA ASP A 105 0.924 -4.206 9.074 1.00 0.00 C ATOM 1554 C ASP A 105 2.374 -4.281 8.606 1.00 0.00 C ATOM 1555 O ASP A 105 3.142 -5.126 9.066 1.00 0.00 O ATOM 1556 CB ASP A 105 0.873 -3.892 10.570 1.00 0.00 C ATOM 1557 CG ASP A 105 1.001 -5.136 11.427 1.00 0.00 C ATOM 1558 OD1 ASP A 105 -0.037 -5.769 11.713 1.00 0.00 O ATOM 1559 OD2 ASP A 105 2.139 -5.477 11.811 1.00 0.00 O ATOM 0 H ASP A 105 -0.203 -5.889 9.611 1.00 0.00 H new ATOM 0 HA ASP A 105 0.425 -3.407 8.526 1.00 0.00 H new ATOM 0 HB2 ASP A 105 1.675 -3.198 10.820 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -0.067 -3.390 10.801 1.00 0.00 H new ATOM 1564 N TYR A 106 2.741 -3.392 7.689 1.00 0.00 N ATOM 1565 CA TYR A 106 4.097 -3.360 7.156 1.00 0.00 C ATOM 1566 C TYR A 106 5.102 -2.993 8.244 1.00 0.00 C ATOM 1567 O TYR A 106 5.118 -1.864 8.733 1.00 0.00 O ATOM 1568 CB TYR A 106 4.191 -2.360 6.002 1.00 0.00 C ATOM 1569 CG TYR A 106 5.606 -2.099 5.540 1.00 0.00 C ATOM 1570 CD1 TYR A 106 6.412 -1.175 6.194 1.00 0.00 C ATOM 1571 CD2 TYR A 106 6.138 -2.776 4.449 1.00 0.00 C ATOM 1572 CE1 TYR A 106 7.706 -0.933 5.775 1.00 0.00 C ATOM 1573 CE2 TYR A 106 7.431 -2.541 4.024 1.00 0.00 C ATOM 1574 CZ TYR A 106 8.211 -1.618 4.690 1.00 0.00 C ATOM 1575 OH TYR A 106 9.499 -1.381 4.269 1.00 0.00 O ATOM 0 H TYR A 106 2.118 -2.684 7.300 1.00 0.00 H new ATOM 0 HA TYR A 106 4.337 -4.356 6.785 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.606 -2.733 5.161 1.00 0.00 H new ATOM 0 HB3 TYR A 106 3.739 -1.418 6.312 1.00 0.00 H new ATOM 0 HD1 TYR A 106 6.020 -0.637 7.044 1.00 0.00 H new ATOM 0 HD2 TYR A 106 5.530 -3.498 3.925 1.00 0.00 H new ATOM 0 HE1 TYR A 106 8.319 -0.211 6.294 1.00 0.00 H new ATOM 0 HE2 TYR A 106 7.829 -3.077 3.175 1.00 0.00 H new ATOM 0 HH TYR A 106 10.057 -2.162 4.467 1.00 0.00 H new ATOM 1654 N GLY A 112 13.633 2.543 0.118 1.00 0.00 N ATOM 1655 CA GLY A 112 13.484 1.755 -1.092 1.00 0.00 C ATOM 1656 C GLY A 112 14.238 0.442 -1.025 1.00 0.00 C ATOM 1657 O GLY A 112 13.794 -0.564 -1.576 1.00 0.00 O ATOM 0 HA2 GLY A 112 12.426 1.555 -1.264 1.00 0.00 H new ATOM 0 HA3 GLY A 112 13.841 2.333 -1.944 1.00 0.00 H new ATOM 1661 N GLU A 113 15.383 0.453 -0.348 1.00 0.00 N ATOM 1662 CA GLU A 113 16.201 -0.747 -0.214 1.00 0.00 C ATOM 1663 C GLU A 113 15.574 -1.725 0.776 1.00 0.00 C ATOM 1664 O GLU A 113 15.425 -2.911 0.483 1.00 0.00 O ATOM 1665 CB GLU A 113 17.615 -0.379 0.242 1.00 0.00 C ATOM 1666 CG GLU A 113 17.673 0.887 1.080 1.00 0.00 C ATOM 1667 CD GLU A 113 18.948 0.989 1.896 1.00 0.00 C ATOM 1668 OE1 GLU A 113 19.359 -0.033 2.483 1.00 0.00 O ATOM 1669 OE2 GLU A 113 19.533 2.091 1.945 1.00 0.00 O ATOM 0 H GLU A 113 15.764 1.278 0.115 1.00 0.00 H new ATOM 0 HA GLU A 113 16.256 -1.229 -1.190 1.00 0.00 H new ATOM 0 HB2 GLU A 113 18.029 -1.206 0.819 1.00 0.00 H new ATOM 0 HB3 GLU A 113 18.250 -0.254 -0.635 1.00 0.00 H new ATOM 0 HG2 GLU A 113 17.594 1.755 0.426 1.00 0.00 H new ATOM 0 HG3 GLU A 113 16.814 0.914 1.750 1.00 0.00 H new ATOM 1676 N ALA A 114 15.209 -1.218 1.949 1.00 0.00 N ATOM 1677 CA ALA A 114 14.598 -2.045 2.981 1.00 0.00 C ATOM 1678 C ALA A 114 13.294 -2.664 2.488 1.00 0.00 C ATOM 1679 O ALA A 114 13.104 -3.878 2.566 1.00 0.00 O ATOM 1680 CB ALA A 114 14.352 -1.224 4.239 1.00 0.00 C ATOM 0 H ALA A 114 15.326 -0.238 2.208 1.00 0.00 H new ATOM 0 HA ALA A 114 15.288 -2.855 3.218 1.00 0.00 H new ATOM 0 HB1 ALA A 114 13.895 -1.855 5.002 1.00 0.00 H new ATOM 0 HB2 ALA A 114 15.300 -0.834 4.610 1.00 0.00 H new ATOM 0 HB3 ALA A 114 13.685 -0.394 4.007 1.00 0.00 H new ATOM 1686 N ILE A 115 12.400 -1.822 1.982 1.00 0.00 N ATOM 1687 CA ILE A 115 11.114 -2.288 1.476 1.00 0.00 C ATOM 1688 C ILE A 115 11.288 -3.498 0.565 1.00 0.00 C ATOM 1689 O ILE A 115 10.472 -4.420 0.577 1.00 0.00 O ATOM 1690 CB ILE A 115 10.379 -1.178 0.702 1.00 0.00 C ATOM 1691 CG1 ILE A 115 10.119 0.024 1.613 1.00 0.00 C ATOM 1692 CG2 ILE A 115 9.072 -1.708 0.129 1.00 0.00 C ATOM 1693 CD1 ILE A 115 10.135 1.349 0.884 1.00 0.00 C ATOM 0 H ILE A 115 12.542 -0.814 1.911 1.00 0.00 H new ATOM 0 HA ILE A 115 10.517 -2.572 2.343 1.00 0.00 H new ATOM 0 HB ILE A 115 11.011 -0.853 -0.125 1.00 0.00 H new ATOM 0 HG12 ILE A 115 9.152 -0.102 2.100 1.00 0.00 H new ATOM 0 HG13 ILE A 115 10.872 0.043 2.400 1.00 0.00 H new ATOM 0 HG21 ILE A 115 8.564 -0.912 -0.415 1.00 0.00 H new ATOM 0 HG22 ILE A 115 9.281 -2.535 -0.549 1.00 0.00 H new ATOM 0 HG23 ILE A 115 8.434 -2.057 0.941 1.00 0.00 H new ATOM 0 HD11 ILE A 115 9.944 2.156 1.591 1.00 0.00 H new ATOM 0 HD12 ILE A 115 11.110 1.497 0.420 1.00 0.00 H new ATOM 0 HD13 ILE A 115 9.363 1.350 0.115 1.00 0.00 H new ATOM 1705 N VAL A 116 12.358 -3.490 -0.224 1.00 0.00 N ATOM 1706 CA VAL A 116 12.641 -4.589 -1.139 1.00 0.00 C ATOM 1707 C VAL A 116 12.811 -5.903 -0.385 1.00 0.00 C ATOM 1708 O VAL A 116 12.331 -6.949 -0.823 1.00 0.00 O ATOM 1709 CB VAL A 116 13.911 -4.317 -1.967 1.00 0.00 C ATOM 1710 CG1 VAL A 116 14.415 -5.600 -2.610 1.00 0.00 C ATOM 1711 CG2 VAL A 116 13.642 -3.253 -3.020 1.00 0.00 C ATOM 0 H VAL A 116 13.043 -2.735 -0.248 1.00 0.00 H new ATOM 0 HA VAL A 116 11.787 -4.668 -1.812 1.00 0.00 H new ATOM 0 HB VAL A 116 14.687 -3.946 -1.298 1.00 0.00 H new ATOM 0 HG11 VAL A 116 15.313 -5.388 -3.191 1.00 0.00 H new ATOM 0 HG12 VAL A 116 14.649 -6.329 -1.834 1.00 0.00 H new ATOM 0 HG13 VAL A 116 13.645 -6.005 -3.267 1.00 0.00 H new ATOM 0 HG21 VAL A 116 14.550 -3.073 -3.596 1.00 0.00 H new ATOM 0 HG22 VAL A 116 12.850 -3.594 -3.687 1.00 0.00 H new ATOM 0 HG23 VAL A 116 13.333 -2.329 -2.532 1.00 0.00 H new ATOM 1721 N ASP A 117 13.496 -5.842 0.751 1.00 0.00 N ATOM 1722 CA ASP A 117 13.728 -7.027 1.569 1.00 0.00 C ATOM 1723 C ASP A 117 12.441 -7.475 2.255 1.00 0.00 C ATOM 1724 O ASP A 117 12.269 -8.653 2.564 1.00 0.00 O ATOM 1725 CB ASP A 117 14.808 -6.748 2.615 1.00 0.00 C ATOM 1726 CG ASP A 117 15.599 -7.989 2.977 1.00 0.00 C ATOM 1727 OD1 ASP A 117 14.972 -9.006 3.344 1.00 0.00 O ATOM 1728 OD2 ASP A 117 16.844 -7.945 2.892 1.00 0.00 O ATOM 0 H ASP A 117 13.901 -4.984 1.127 1.00 0.00 H new ATOM 0 HA ASP A 117 14.067 -7.829 0.914 1.00 0.00 H new ATOM 0 HB2 ASP A 117 15.488 -5.985 2.236 1.00 0.00 H new ATOM 0 HB3 ASP A 117 14.343 -6.342 3.514 1.00 0.00 H new ATOM 1733 N ALA A 118 11.541 -6.525 2.491 1.00 0.00 N ATOM 1734 CA ALA A 118 10.270 -6.822 3.140 1.00 0.00 C ATOM 1735 C ALA A 118 9.362 -7.633 2.223 1.00 0.00 C ATOM 1736 O ALA A 118 8.826 -8.667 2.620 1.00 0.00 O ATOM 1737 CB ALA A 118 9.581 -5.533 3.564 1.00 0.00 C ATOM 0 H ALA A 118 11.669 -5.544 2.242 1.00 0.00 H new ATOM 0 HA ALA A 118 10.474 -7.421 4.027 1.00 0.00 H new ATOM 0 HB1 ALA A 118 8.633 -5.769 4.047 1.00 0.00 H new ATOM 0 HB2 ALA A 118 10.219 -4.992 4.262 1.00 0.00 H new ATOM 0 HB3 ALA A 118 9.396 -4.913 2.686 1.00 0.00 H new ATOM 1743 N ALA A 119 9.192 -7.157 0.994 1.00 0.00 N ATOM 1744 CA ALA A 119 8.349 -7.839 0.020 1.00 0.00 C ATOM 1745 C ALA A 119 8.819 -9.272 -0.204 1.00 0.00 C ATOM 1746 O ALA A 119 8.008 -10.197 -0.283 1.00 0.00 O ATOM 1747 CB ALA A 119 8.337 -7.073 -1.295 1.00 0.00 C ATOM 0 H ALA A 119 9.627 -6.301 0.649 1.00 0.00 H new ATOM 0 HA ALA A 119 7.334 -7.875 0.416 1.00 0.00 H new ATOM 0 HB1 ALA A 119 7.704 -7.593 -2.013 1.00 0.00 H new ATOM 0 HB2 ALA A 119 7.947 -6.069 -1.128 1.00 0.00 H new ATOM 0 HB3 ALA A 119 9.352 -7.007 -1.687 1.00 0.00 H new ATOM 1753 N LEU A 120 10.131 -9.450 -0.308 1.00 0.00 N ATOM 1754 CA LEU A 120 10.709 -10.772 -0.524 1.00 0.00 C ATOM 1755 C LEU A 120 10.418 -11.693 0.657 1.00 0.00 C ATOM 1756 O LEU A 120 9.914 -12.803 0.483 1.00 0.00 O ATOM 1757 CB LEU A 120 12.219 -10.661 -0.739 1.00 0.00 C ATOM 1758 CG LEU A 120 12.667 -9.808 -1.926 1.00 0.00 C ATOM 1759 CD1 LEU A 120 14.063 -9.253 -1.688 1.00 0.00 C ATOM 1760 CD2 LEU A 120 12.626 -10.621 -3.212 1.00 0.00 C ATOM 0 H LEU A 120 10.815 -8.696 -0.246 1.00 0.00 H new ATOM 0 HA LEU A 120 10.252 -11.200 -1.416 1.00 0.00 H new ATOM 0 HB2 LEU A 120 12.666 -10.251 0.167 1.00 0.00 H new ATOM 0 HB3 LEU A 120 12.622 -11.666 -0.866 1.00 0.00 H new ATOM 0 HG LEU A 120 11.978 -8.970 -2.027 1.00 0.00 H new ATOM 0 HD11 LEU A 120 14.365 -8.649 -2.543 1.00 0.00 H new ATOM 0 HD12 LEU A 120 14.061 -8.635 -0.790 1.00 0.00 H new ATOM 0 HD13 LEU A 120 14.765 -10.077 -1.560 1.00 0.00 H new ATOM 0 HD21 LEU A 120 12.948 -9.998 -4.047 1.00 0.00 H new ATOM 0 HD22 LEU A 120 13.292 -11.479 -3.121 1.00 0.00 H new ATOM 0 HD23 LEU A 120 11.608 -10.969 -3.390 1.00 0.00 H new ATOM 1772 N SER A 121 10.738 -11.224 1.859 1.00 0.00 N ATOM 1773 CA SER A 121 10.512 -12.006 3.069 1.00 0.00 C ATOM 1774 C SER A 121 9.091 -12.560 3.102 1.00 0.00 C ATOM 1775 O SER A 121 8.877 -13.735 3.400 1.00 0.00 O ATOM 1776 CB SER A 121 10.766 -11.149 4.311 1.00 0.00 C ATOM 1777 OG SER A 121 11.201 -11.945 5.400 1.00 0.00 O ATOM 0 H SER A 121 11.154 -10.307 2.021 1.00 0.00 H new ATOM 0 HA SER A 121 11.210 -12.844 3.065 1.00 0.00 H new ATOM 0 HB2 SER A 121 11.518 -10.392 4.087 1.00 0.00 H new ATOM 0 HB3 SER A 121 9.853 -10.620 4.585 1.00 0.00 H new ATOM 0 HG SER A 121 11.358 -11.374 6.181 1.00 0.00 H new ATOM 1783 N ALA A 122 8.122 -11.704 2.792 1.00 0.00 N ATOM 1784 CA ALA A 122 6.721 -12.107 2.784 1.00 0.00 C ATOM 1785 C ALA A 122 6.452 -13.132 1.688 1.00 0.00 C ATOM 1786 O ALA A 122 5.793 -14.147 1.921 1.00 0.00 O ATOM 1787 CB ALA A 122 5.824 -10.891 2.604 1.00 0.00 C ATOM 0 H ALA A 122 8.282 -10.728 2.543 1.00 0.00 H new ATOM 0 HA ALA A 122 6.496 -12.572 3.744 1.00 0.00 H new ATOM 0 HB1 ALA A 122 4.781 -11.206 2.600 1.00 0.00 H new ATOM 0 HB2 ALA A 122 5.989 -10.193 3.424 1.00 0.00 H new ATOM 0 HB3 ALA A 122 6.059 -10.402 1.659 1.00 0.00 H new